Poly[tetra-kis-(dimethyl-formamide)tris(μ(4)-terephthalato)trimagnesium].

The title framework compound, [Mg(3)(C(8)H(4)O(4))(3)(C(3)H(7)NO)(4)](n) or [Mg(3)(bdc)(3)(DMF)(4)](n), was obtained as a side product of the solvothermal reaction of magnesium nitrate, terephthalic acid (bdcH(2)), and 1,3-bis-(4-pyrid-yl)propane in a 1:2:1 ratio in dimethyl-formamide (DMF). The asymmetric unit consists of three Mg(II) cations, three terephthalate anions, and four coordinating DMF mol-ecules. One of the four DMF mol-ecules was refined as disordered over two mutually exclusive positions, with an occupancy rate for the major moiety of 0.923 (4). The three Mg(II) cations possess distorted octa-hedral coordination geometries that form linear Mg trimers. Of the three Mg(II) cations, the central Mg(II) is octa-hedrally coordinated by six different carboxyl-ate O atoms. The terminal Mg(II) cations are bonded to four O atoms of three bdc linkers and to two O atoms of coordinating DMF mol-ecules. The compound has a two-dimensional 3(6)-network structure parallel to (001) that is formed by connection of the Mg trimers as distorted octa-hedral nodes to the bdc ligands as linkers.

Related literature

For background information on Mg- and Zn-bdc metal-organic frameworks, see: Mallick et al. (2011 ▶); Burrows et al. (2005 ▶); Edgar et al. (2001 ▶); Grzesiak et al. (2006 ▶); Rood et al. (2006 ▶); Davies et al. (2007 ▶); Williams et al. (2005 ▶).

Experimental

Crystal data

[Mg3(C8H4O4)3(C3H7NO)4]

M = 857.65

Monoclinic,

a = 18.158 (2) Å

b = 9.5046 (13) Å

c = 24.066 (3) Å

β = 100.825 (2)°

V = 4079.6 (10) Å3

Z = 4

Mo Kα radiation

μ = 0.15 mm−1

T = 100 K

0.34 × 0.20 × 0.05 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2011 ▶) T min = 0.619, T max = 0.746

21816 measured reflections

10014 independent reflections

7598 reflections with I > 2σ(I)

R int = 0.039

Refinement

R[F 2 > 2σ(F 2)] = 0.066

wR(F 2) = 0.149

S = 1.12

10014 reflections

574 parameters

33 restraints

H-atom parameters constrained

Δρmax = 0.46 e Å−3

Δρmin = −0.35 e Å−3

Data collection: APEX2 (Bruker, 2011 ▶); cell refinement: SAINT (Bruker, 2011 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXLE (Hübschle et al., 2011 ▶) and SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812038949/tk5144sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812038949/tk5144Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Mg3(C8H4O4)3(C3H7NO)4]	F(000) = 1792
Mr = 857.65	Dx = 1.396 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 4706 reflections
a = 18.158 (2) Å	θ = 2.3–30.2°
b = 9.5046 (13) Å	µ = 0.15 mm−1
c = 24.066 (3) Å	T = 100 K
β = 100.825 (2)°	Plate, colourless
V = 4079.6 (10) Å3	0.34 × 0.20 × 0.05 mm
Z = 4

Bruker SMART APEX CCD diffractometer	10014 independent reflections
Radiation source: fine-focus sealed tube	7598 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.039
ω scans	θmax = 28.3°, θmin = 1.1°
Absorption correction: multi-scan (SADABS; Bruker, 2011)	h = −16→24
Tmin = 0.619, Tmax = 0.746	k = −12→12
21816 measured reflections	l = −32→27

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.066	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.149	H-atom parameters constrained
S = 1.12	w = 1/[σ2(Fo2) + (0.045P)2 + 5.8483P] where P = (Fo2 + 2Fc2)/3
10014 reflections	(Δ/σ)max < 0.001
574 parameters	Δρmax = 0.46 e Å−3
33 restraints	Δρmin = −0.35 e Å−3

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Mg1	0.20949 (5)	0.47092 (9)	0.09756 (4)	0.00978 (18)
Mg2	0.25057 (4)	0.41016 (9)	0.24603 (4)	0.00810 (17)
Mg3	0.28787 (5)	0.33064 (9)	0.39299 (4)	0.00983 (18)
O1	0.30953 (10)	0.3705 (2)	0.11070 (8)	0.0152 (4)
O2	0.33782 (10)	0.3615 (2)	0.20560 (8)	0.0146 (4)
O3	0.67833 (10)	0.0492 (2)	0.20601 (8)	0.0138 (4)
O4	0.64810 (10)	0.0028 (2)	0.11299 (8)	0.0147 (4)
O5	0.14333 (10)	0.3020 (2)	0.10680 (8)	0.0138 (4)
O6	0.17971 (10)	0.2685 (2)	0.20005 (8)	0.0132 (4)
O7	−0.16247 (10)	−0.0372 (2)	0.21503 (8)	0.0135 (4)
O8	−0.18736 (9)	−0.0683 (2)	0.12085 (8)	0.0134 (4)
O9	0.26181 (10)	0.6786 (2)	0.12084 (8)	0.0140 (4)
O10	0.21240 (9)	0.55376 (19)	0.18163 (7)	0.0104 (4)
O11	0.23514 (10)	1.1286 (2)	0.36602 (8)	0.0135 (4)
O12	0.28604 (9)	1.25894 (19)	0.30769 (7)	0.0106 (4)
O13	0.21208 (10)	0.4826 (2)	0.01346 (8)	0.0175 (4)
O14	0.10924 (10)	0.5856 (2)	0.07525 (8)	0.0169 (4)
O16	0.28667 (10)	0.3291 (2)	0.47647 (8)	0.0160 (4)
N1	0.26651 (13)	0.6147 (3)	−0.04601 (10)	0.0189 (5)
N2	−0.01117 (12)	0.6279 (3)	0.08363 (11)	0.0204 (5)
N4	0.24305 (14)	0.4812 (3)	0.53454 (11)	0.0203 (5)
C1	0.35166 (14)	0.3411 (3)	0.15737 (12)	0.0128 (5)
C2	0.42644 (14)	0.2735 (3)	0.15462 (12)	0.0143 (5)
C3	0.44180 (14)	0.2137 (3)	0.10546 (12)	0.0158 (5)
H3	0.4056	0.2187	0.0714	0.019*
C4	0.51035 (14)	0.1461 (3)	0.10581 (11)	0.0152 (5)
H4	0.5203	0.1042	0.0722	0.018*
C5	0.56423 (14)	0.1400 (3)	0.15565 (11)	0.0135 (5)
C6	0.54986 (16)	0.2045 (4)	0.20400 (13)	0.0272 (7)
H6	0.5870	0.2041	0.2376	0.033*
C7	0.48118 (16)	0.2702 (4)	0.20368 (13)	0.0280 (8)
H7	0.4716	0.3132	0.2372	0.034*
C8	0.63647 (13)	0.0582 (3)	0.15837 (11)	0.0116 (5)
C9	0.13477 (13)	0.2544 (3)	0.15446 (11)	0.0112 (5)
C10	0.06273 (13)	0.1758 (3)	0.15667 (11)	0.0115 (5)
C11	0.01302 (14)	0.1379 (3)	0.10717 (11)	0.0141 (5)
H11	0.0251	0.1584	0.0713	0.017*
C12	−0.05394 (14)	0.0702 (3)	0.11033 (11)	0.0148 (5)
H12	−0.0869	0.0430	0.0766	0.018*
C13	−0.07311 (13)	0.0421 (3)	0.16273 (11)	0.0119 (5)
C14	−0.02315 (15)	0.0784 (3)	0.21175 (12)	0.0196 (6)
H14	−0.0352	0.0579	0.2476	0.024*
C15	0.04437 (15)	0.1445 (3)	0.20874 (11)	0.0183 (6)
H15	0.0781	0.1684	0.2426	0.022*
C16	−0.14698 (13)	−0.0274 (3)	0.16669 (11)	0.0110 (5)
C17	0.24114 (13)	0.6691 (3)	0.16770 (11)	0.0108 (5)
C18	0.24572 (14)	0.7919 (3)	0.20711 (11)	0.0122 (5)
C19	0.29401 (14)	0.9041 (3)	0.20265 (12)	0.0144 (5)
H19	0.3251	0.9017	0.1750	0.017*
C20	0.29669 (14)	1.0191 (3)	0.23864 (12)	0.0140 (5)
H20	0.3299	1.0949	0.2359	0.017*
C21	0.25055 (14)	1.0230 (3)	0.27868 (11)	0.0119 (5)
C22	0.20191 (14)	0.9115 (3)	0.28294 (11)	0.0143 (5)
H22	0.1704	0.9144	0.3103	0.017*
C23	0.19968 (15)	0.7962 (3)	0.24713 (12)	0.0146 (5)
H23	0.1666	0.7202	0.2500	0.018*
C24	0.25574 (13)	1.1429 (3)	0.31948 (11)	0.0112 (5)
C25	0.26467 (15)	0.5073 (3)	−0.01164 (11)	0.0149 (5)
H25	0.3062	0.4447	−0.0056	0.018*
C26	0.20341 (19)	0.7121 (4)	−0.05927 (15)	0.0313 (8)
H26A	0.2223	0.8077	−0.0625	0.047*
H26B	0.1740	0.7090	−0.0291	0.047*
H26C	0.1716	0.6848	−0.0952	0.047*
C27	0.32811 (18)	0.6340 (4)	−0.07655 (13)	0.0258 (7)
H27A	0.3083	0.6350	−0.1173	0.039*
H27B	0.3639	0.5565	−0.0675	0.039*
H27C	0.3534	0.7234	−0.0653	0.039*
C28	0.05722 (14)	0.5785 (3)	0.10208 (12)	0.0173 (6)
H28	0.0672	0.5349	0.1382	0.021*
C29	−0.03021 (19)	0.6938 (5)	0.02858 (15)	0.0386 (9)
H29A	−0.0737	0.6460	0.0061	0.058*
H29B	0.0125	0.6868	0.0092	0.058*
H29C	−0.0423	0.7931	0.0332	0.058*
C30	−0.07011 (17)	0.6193 (4)	0.11684 (15)	0.0325 (8)
H30A	−0.1142	0.5730	0.0945	0.049*
H30B	−0.0837	0.7143	0.1271	0.049*
H30C	−0.0522	0.5648	0.1513	0.049*
O15	0.39003 (12)	0.2178 (3)	0.41379 (13)	0.0163 (6)	0.923 (4)
C31	0.43687 (16)	0.2254 (4)	0.38262 (14)	0.0205 (7)	0.923 (4)
H31	0.4223	0.2736	0.3477	0.025*	0.923 (4)
N3	0.50494 (17)	0.1726 (3)	0.39358 (14)	0.0223 (7)	0.923 (4)
C32	0.55482 (19)	0.1786 (4)	0.35236 (17)	0.0331 (9)	0.923 (4)
H32A	0.6058	0.2014	0.3718	0.050*	0.923 (4)
H32B	0.5371	0.2512	0.3241	0.050*	0.923 (4)
H32C	0.5549	0.0871	0.3336	0.050*	0.923 (4)
C33	0.5317 (2)	0.0975 (6)	0.44580 (19)	0.0518 (14)	0.923 (4)
H33A	0.5822	0.1304	0.4624	0.078*	0.923 (4)
H33B	0.5332	−0.0035	0.4380	0.078*	0.923 (4)
H33C	0.4978	0.1149	0.4723	0.078*	0.923 (4)
O15B	0.3792 (13)	0.193 (4)	0.423 (2)	0.0163 (6)	0.077 (4)
C31B	0.4482 (14)	0.211 (4)	0.4268 (15)	0.021 (4)	0.077 (4)
H31B	0.4709	0.2819	0.4521	0.026*	0.077 (4)
N3B	0.4921 (15)	0.140 (4)	0.3991 (18)	0.0223 (7)	0.077 (4)
C32B	0.461 (2)	0.052 (5)	0.3498 (16)	0.034 (8)	0.077 (4)
H32D	0.4994	0.0368	0.3268	0.051*	0.077 (4)
H32E	0.4178	0.1004	0.3270	0.051*	0.077 (4)
H32F	0.4448	−0.0384	0.3627	0.051*	0.077 (4)
C33B	0.5715 (15)	0.168 (5)	0.405 (2)	0.041 (9)	0.077 (4)
H33D	0.5894	0.1304	0.3717	0.061*	0.077 (4)
H33E	0.5988	0.1230	0.4391	0.061*	0.077 (4)
H33F	0.5801	0.2698	0.4070	0.061*	0.077 (4)
C34	0.23760 (16)	0.3682 (3)	0.50274 (12)	0.0186 (6)
H34	0.1934	0.3128	0.4996	0.022*
C35	0.31082 (17)	0.5676 (4)	0.54180 (15)	0.0290 (7)
H35A	0.2977	0.6662	0.5469	0.044*
H35B	0.3338	0.5591	0.5082	0.044*
H35C	0.3464	0.5355	0.5752	0.044*
C36	0.18345 (18)	0.5209 (4)	0.56510 (14)	0.0275 (7)
H36A	0.1673	0.6176	0.5551	0.041*
H36B	0.2025	0.5149	0.6059	0.041*
H36C	0.1408	0.4569	0.5547	0.041*

	U11	U22	U33	U12	U13	U23
Mg1	0.0078 (4)	0.0106 (4)	0.0116 (4)	0.0001 (3)	0.0037 (3)	−0.0002 (3)
Mg2	0.0061 (4)	0.0082 (4)	0.0103 (4)	0.0000 (3)	0.0024 (3)	−0.0007 (3)
Mg3	0.0090 (4)	0.0092 (4)	0.0117 (4)	−0.0002 (3)	0.0030 (3)	−0.0006 (3)
O1	0.0104 (9)	0.0187 (10)	0.0168 (10)	0.0035 (7)	0.0032 (7)	−0.0010 (8)
O2	0.0094 (8)	0.0197 (10)	0.0163 (10)	0.0038 (7)	0.0068 (7)	0.0006 (8)
O3	0.0107 (8)	0.0142 (10)	0.0159 (9)	0.0041 (7)	0.0007 (7)	0.0016 (8)
O4	0.0125 (9)	0.0167 (10)	0.0159 (10)	0.0066 (7)	0.0056 (7)	0.0014 (8)
O5	0.0131 (9)	0.0147 (9)	0.0142 (9)	−0.0053 (7)	0.0045 (7)	0.0003 (8)
O6	0.0109 (8)	0.0132 (9)	0.0146 (9)	−0.0035 (7)	−0.0002 (7)	−0.0018 (8)
O7	0.0110 (8)	0.0176 (10)	0.0135 (9)	−0.0025 (7)	0.0067 (7)	0.0001 (8)
O8	0.0097 (8)	0.0166 (10)	0.0140 (9)	−0.0026 (7)	0.0028 (7)	0.0007 (8)
O9	0.0168 (9)	0.0127 (9)	0.0142 (9)	−0.0011 (7)	0.0070 (7)	0.0001 (8)
O10	0.0111 (8)	0.0078 (8)	0.0122 (9)	0.0000 (6)	0.0017 (7)	0.0009 (7)
O11	0.0159 (9)	0.0117 (9)	0.0147 (9)	−0.0014 (7)	0.0075 (7)	−0.0018 (7)
O12	0.0101 (8)	0.0101 (9)	0.0119 (9)	−0.0008 (6)	0.0030 (7)	−0.0002 (7)
O13	0.0159 (9)	0.0250 (11)	0.0124 (9)	−0.0017 (8)	0.0049 (7)	−0.0014 (8)
O14	0.0121 (9)	0.0226 (11)	0.0166 (10)	0.0060 (8)	0.0046 (7)	0.0033 (8)
O16	0.0190 (9)	0.0188 (10)	0.0109 (9)	0.0029 (8)	0.0050 (7)	0.0003 (8)
N1	0.0228 (12)	0.0161 (12)	0.0194 (12)	−0.0002 (9)	0.0078 (10)	0.0002 (10)
N2	0.0111 (11)	0.0288 (14)	0.0217 (13)	0.0066 (10)	0.0042 (9)	0.0019 (11)
N4	0.0222 (12)	0.0177 (13)	0.0227 (13)	−0.0023 (9)	0.0082 (10)	−0.0024 (10)
C1	0.0094 (11)	0.0113 (12)	0.0185 (13)	−0.0007 (9)	0.0046 (10)	−0.0002 (10)
C2	0.0113 (12)	0.0156 (13)	0.0170 (13)	0.0032 (10)	0.0047 (10)	−0.0005 (11)
C3	0.0119 (12)	0.0212 (14)	0.0140 (13)	0.0043 (10)	0.0013 (10)	−0.0003 (11)
C4	0.0130 (12)	0.0201 (14)	0.0126 (13)	0.0070 (10)	0.0030 (10)	−0.0021 (11)
C5	0.0093 (11)	0.0155 (13)	0.0168 (13)	0.0025 (9)	0.0053 (10)	0.0010 (11)
C6	0.0144 (14)	0.048 (2)	0.0176 (15)	0.0133 (13)	−0.0013 (11)	−0.0077 (14)
C7	0.0175 (14)	0.051 (2)	0.0165 (14)	0.0158 (14)	0.0042 (11)	−0.0103 (14)
C8	0.0089 (11)	0.0093 (12)	0.0176 (13)	0.0001 (9)	0.0051 (9)	0.0026 (10)
C9	0.0080 (11)	0.0121 (12)	0.0142 (12)	−0.0002 (9)	0.0041 (9)	−0.0006 (10)
C10	0.0077 (11)	0.0134 (13)	0.0139 (13)	−0.0015 (9)	0.0033 (9)	0.0016 (10)
C11	0.0111 (12)	0.0203 (14)	0.0120 (12)	−0.0021 (10)	0.0051 (9)	0.0023 (11)
C12	0.0111 (12)	0.0194 (14)	0.0135 (13)	−0.0034 (10)	0.0013 (9)	0.0004 (11)
C13	0.0087 (11)	0.0157 (13)	0.0126 (12)	−0.0026 (9)	0.0054 (9)	0.0009 (10)
C14	0.0155 (13)	0.0323 (17)	0.0123 (13)	−0.0078 (12)	0.0055 (10)	0.0005 (12)
C15	0.0150 (13)	0.0284 (16)	0.0111 (13)	−0.0089 (11)	0.0014 (10)	−0.0006 (12)
C16	0.0095 (11)	0.0084 (12)	0.0159 (13)	0.0002 (9)	0.0048 (9)	0.0018 (10)
C17	0.0093 (11)	0.0093 (12)	0.0136 (12)	0.0022 (9)	0.0015 (9)	−0.0005 (10)
C18	0.0133 (12)	0.0084 (12)	0.0140 (13)	0.0005 (9)	0.0005 (10)	0.0008 (10)
C19	0.0144 (12)	0.0128 (13)	0.0177 (13)	−0.0016 (10)	0.0072 (10)	−0.0023 (11)
C20	0.0163 (12)	0.0079 (12)	0.0187 (13)	−0.0018 (9)	0.0055 (10)	0.0013 (10)
C21	0.0113 (11)	0.0096 (12)	0.0147 (13)	0.0022 (9)	0.0020 (9)	−0.0011 (10)
C22	0.0169 (12)	0.0110 (12)	0.0162 (13)	−0.0004 (10)	0.0067 (10)	−0.0005 (10)
C23	0.0164 (13)	0.0101 (12)	0.0186 (14)	−0.0026 (10)	0.0064 (10)	−0.0010 (10)
C24	0.0106 (11)	0.0100 (12)	0.0130 (12)	0.0007 (9)	0.0022 (9)	−0.0003 (10)
C25	0.0154 (12)	0.0154 (13)	0.0139 (13)	0.0003 (10)	0.0031 (10)	−0.0018 (10)
C26	0.0373 (19)	0.0222 (17)	0.0322 (18)	0.0086 (14)	0.0009 (14)	0.0043 (14)
C27	0.0329 (17)	0.0253 (17)	0.0223 (16)	−0.0101 (13)	0.0130 (13)	0.0015 (13)
C28	0.0141 (12)	0.0189 (14)	0.0190 (14)	0.0029 (10)	0.0032 (10)	0.0011 (11)
C29	0.0261 (17)	0.059 (3)	0.0301 (19)	0.0200 (17)	0.0031 (14)	0.0126 (18)
C30	0.0196 (15)	0.045 (2)	0.038 (2)	0.0080 (14)	0.0167 (14)	0.0013 (17)
O15	0.0123 (11)	0.0183 (14)	0.0193 (15)	0.0039 (9)	0.0054 (9)	0.0026 (9)
C31	0.0144 (14)	0.0218 (17)	0.0253 (17)	0.0065 (12)	0.0036 (12)	0.0014 (14)
N3	0.0122 (13)	0.0260 (18)	0.0293 (16)	0.0041 (11)	0.0056 (11)	0.0071 (14)
C32	0.0197 (17)	0.039 (2)	0.043 (2)	0.0097 (15)	0.0128 (16)	0.0039 (18)
C33	0.030 (2)	0.079 (4)	0.046 (3)	0.025 (2)	0.0068 (18)	0.030 (3)
O15B	0.0123 (11)	0.0183 (14)	0.0193 (15)	0.0039 (9)	0.0054 (9)	0.0026 (9)
C31B	0.015 (7)	0.024 (7)	0.026 (7)	0.007 (7)	0.005 (7)	0.006 (7)
N3B	0.0122 (13)	0.0260 (18)	0.0293 (16)	0.0041 (11)	0.0056 (11)	0.0071 (14)
C32B	0.021 (14)	0.037 (16)	0.049 (16)	−0.008 (13)	0.019 (13)	0.006 (15)
C33B	0.015 (14)	0.052 (17)	0.057 (17)	0.004 (14)	0.011 (14)	−0.013 (16)
C34	0.0201 (14)	0.0173 (14)	0.0188 (14)	−0.0015 (11)	0.0045 (11)	0.0010 (12)
C35	0.0259 (16)	0.0258 (17)	0.0372 (19)	−0.0053 (13)	0.0105 (14)	−0.0102 (15)
C36	0.0290 (17)	0.0271 (17)	0.0295 (17)	−0.0036 (13)	0.0138 (13)	−0.0079 (14)

Mg1—O1	2.024 (2)	C10—C15	1.388 (4)
Mg1—O13	2.036 (2)	C10—C11	1.400 (4)
Mg1—O5	2.042 (2)	C11—C12	1.390 (4)
Mg1—O14	2.103 (2)	C11—H11	0.9500
Mg1—O10	2.162 (2)	C12—C13	1.396 (4)
Mg1—O9	2.217 (2)	C12—H12	0.9500
Mg1—C17	2.522 (3)	C13—C14	1.390 (4)
Mg1—Mg2	3.5575 (13)	C13—C16	1.514 (3)
Mg2—O6	2.0393 (19)	C14—C15	1.392 (4)
Mg2—O3i	2.046 (2)	C14—H14	0.9500
Mg2—O2	2.0614 (19)	C15—H15	0.9500
Mg2—O7ii	2.0619 (19)	C17—C18	1.497 (4)
Mg2—O12iii	2.079 (2)	C18—C23	1.390 (4)
Mg2—O10	2.0837 (19)	C18—C19	1.397 (4)
Mg2—Mg3	3.5550 (13)	C19—C20	1.390 (4)
Mg3—O16	2.013 (2)	C19—H19	0.9500
Mg3—O4i	2.028 (2)	C20—C21	1.391 (4)
Mg3—O8ii	2.0338 (19)	C20—H20	0.9500
Mg3—O15	2.120 (2)	C21—C22	1.396 (4)
Mg3—O15B	2.127 (18)	C21—C24	1.496 (4)
Mg3—O12iii	2.157 (2)	C22—C23	1.390 (4)
Mg3—O11iii	2.189 (2)	C22—H22	0.9500
Mg3—C24iii	2.503 (3)	C23—H23	0.9500
O1—C1	1.266 (3)	C24—Mg3vi	2.503 (3)
O2—C1	1.248 (3)	C25—H25	0.9500
O3—C8	1.254 (3)	C26—H26A	0.9800
O3—Mg2iv	2.0456 (19)	C26—H26B	0.9800
O4—C8	1.265 (3)	C26—H26C	0.9800
O4—Mg3iv	2.028 (2)	C27—H27A	0.9800
O5—C9	1.270 (3)	C27—H27B	0.9800
O6—C9	1.246 (3)	C27—H27C	0.9800
O7—C16	1.251 (3)	C28—H28	0.9500
O7—Mg2v	2.0618 (19)	C29—H29A	0.9800
O8—C16	1.266 (3)	C29—H29B	0.9800
O8—Mg3v	2.0338 (19)	C29—H29C	0.9800
O9—C17	1.257 (3)	C30—H30A	0.9800
O10—C17	1.285 (3)	C30—H30B	0.9800
O11—C24	1.253 (3)	C30—H30C	0.9800
O11—Mg3vi	2.189 (2)	O15—C31	1.237 (4)
O12—C24	1.288 (3)	C31—N3	1.314 (4)
O12—Mg2vi	2.079 (2)	C31—H31	0.9500
O12—Mg3vi	2.157 (2)	N3—C33	1.448 (5)
O13—C25	1.244 (3)	N3—C32	1.465 (4)
O14—C28	1.242 (3)	C32—H32A	0.9800
O16—C34	1.242 (3)	C32—H32B	0.9800
N1—C25	1.318 (4)	C32—H32C	0.9800
N1—C26	1.461 (4)	C33—H33A	0.9800
N1—C27	1.461 (4)	C33—H33B	0.9800
N2—C28	1.324 (3)	C33—H33C	0.9800
N2—C29	1.447 (4)	O15B—C31B	1.250 (19)
N2—C30	1.453 (4)	C31B—N3B	1.318 (18)
N4—C34	1.312 (4)	C31B—H31B	0.9500
N4—C35	1.463 (4)	N3B—C33B	1.448 (18)
N4—C36	1.468 (4)	N3B—C32B	1.473 (19)
C1—C2	1.515 (3)	C32B—H32D	0.9800
C2—C3	1.388 (4)	C32B—H32E	0.9800
C2—C7	1.394 (4)	C32B—H32F	0.9800
C3—C4	1.399 (4)	C33B—H33D	0.9800
C3—H3	0.9500	C33B—H33E	0.9800
C4—C5	1.399 (4)	C33B—H33F	0.9800
C4—H4	0.9500	C34—H34	0.9500
C5—C6	1.383 (4)	C35—H35A	0.9800
C5—C8	1.516 (3)	C35—H35B	0.9800
C6—C7	1.393 (4)	C35—H35C	0.9800
C6—H6	0.9500	C36—H36A	0.9800
C7—H7	0.9500	C36—H36B	0.9800
C9—C10	1.516 (3)	C36—H36C	0.9800
O1—Mg1—O13	89.62 (8)	C5—C6—C7	120.3 (3)
O1—Mg1—O5	98.14 (9)	C5—C6—H6	119.9
O13—Mg1—O5	105.97 (9)	C7—C6—H6	119.9
O1—Mg1—O14	173.16 (9)	C6—C7—C2	120.7 (3)
O13—Mg1—O14	84.17 (8)	C6—C7—H7	119.7
O5—Mg1—O14	86.35 (8)	C2—C7—H7	119.7
O1—Mg1—O10	99.32 (8)	O3—C8—O4	126.1 (2)
O13—Mg1—O10	155.37 (9)	O3—C8—C5	116.5 (2)
O5—Mg1—O10	95.50 (8)	O4—C8—C5	117.4 (2)
O14—Mg1—O10	85.30 (8)	O6—C9—O5	125.9 (2)
O1—Mg1—O9	92.91 (8)	O6—C9—C10	116.7 (2)
O13—Mg1—O9	96.53 (8)	O5—C9—C10	117.4 (2)
O5—Mg1—O9	154.90 (8)	C15—C10—C11	119.2 (2)
O14—Mg1—O9	84.98 (8)	C15—C10—C9	119.5 (2)
O10—Mg1—O9	60.35 (7)	C11—C10—C9	121.3 (2)
O1—Mg1—C17	99.35 (8)	C12—C11—C10	120.2 (2)
O13—Mg1—C17	125.41 (9)	C12—C11—H11	119.9
O5—Mg1—C17	125.37 (9)	C10—C11—H11	119.9
O14—Mg1—C17	82.04 (8)	C11—C12—C13	120.5 (2)
O10—Mg1—C17	30.63 (7)	C11—C12—H12	119.8
O9—Mg1—C17	29.88 (8)	C13—C12—H12	119.8
O1—Mg1—Mg2	75.75 (6)	C14—C13—C12	119.0 (2)
O13—Mg1—Mg2	165.35 (7)	C14—C13—C16	120.0 (2)
O5—Mg1—Mg2	77.27 (6)	C12—C13—C16	121.0 (2)
O14—Mg1—Mg2	110.41 (6)	C13—C14—C15	120.6 (3)
O10—Mg1—Mg2	32.40 (5)	C13—C14—H14	119.7
O9—Mg1—Mg2	83.78 (6)	C15—C14—H14	119.7
C17—Mg1—Mg2	58.04 (6)	C10—C15—C14	120.5 (2)
O6—Mg2—O3i	178.51 (9)	C10—C15—H15	119.8
O6—Mg2—O2	93.34 (8)	C14—C15—H15	119.8
O3i—Mg2—O2	87.23 (8)	O7—C16—O8	126.4 (2)
O6—Mg2—O7ii	86.70 (8)	O7—C16—C13	116.6 (2)
O3i—Mg2—O7ii	92.76 (8)	O8—C16—C13	117.0 (2)
O2—Mg2—O7ii	178.54 (9)	O9—C17—O10	120.0 (2)
O6—Mg2—O12iii	90.58 (8)	O9—C17—C18	121.5 (2)
O3i—Mg2—O12iii	88.04 (8)	O10—C17—C18	118.5 (2)
O2—Mg2—O12iii	91.11 (8)	O9—C17—Mg1	61.46 (14)
O7ii—Mg2—O12iii	90.35 (8)	O10—C17—Mg1	59.02 (13)
O6—Mg2—O10	86.62 (8)	C18—C17—Mg1	170.10 (17)
O3i—Mg2—O10	94.77 (8)	C23—C18—C19	119.9 (2)
O2—Mg2—O10	88.49 (8)	C23—C18—C17	119.5 (2)
O7ii—Mg2—O10	90.06 (8)	C19—C18—C17	120.5 (2)
O12iii—Mg2—O10	177.14 (8)	C20—C19—C18	120.1 (2)
O6—Mg2—Mg3	112.48 (6)	C20—C19—H19	120.0
O3i—Mg2—Mg3	66.04 (6)	C18—C19—H19	120.0
O2—Mg2—Mg3	113.72 (6)	C19—C20—C21	119.8 (2)
O7ii—Mg2—Mg3	67.58 (6)	C19—C20—H20	120.1
O12iii—Mg2—Mg3	33.64 (5)	C21—C20—H20	120.1
O10—Mg2—Mg3	148.63 (6)	C20—C21—C22	120.2 (2)
O6—Mg2—Mg1	64.55 (6)	C20—C21—C24	120.2 (2)
O3i—Mg2—Mg1	116.93 (6)	C22—C21—C24	119.5 (2)
O2—Mg2—Mg1	66.24 (6)	C23—C22—C21	119.9 (2)
O7ii—Mg2—Mg1	112.51 (6)	C23—C22—H22	120.1
O12iii—Mg2—Mg1	143.84 (6)	C21—C22—H22	120.1
O10—Mg2—Mg1	33.79 (5)	C18—C23—C22	120.1 (2)
Mg3—Mg2—Mg1	176.90 (3)	C18—C23—H23	120.0
O16—Mg3—O4i	100.97 (9)	C22—C23—H23	120.0
O16—Mg3—O8ii	89.38 (8)	O11—C24—O12	120.1 (2)
O4i—Mg3—O8ii	96.67 (9)	O11—C24—C21	120.8 (2)
O16—Mg3—O15	86.20 (10)	O12—C24—C21	119.0 (2)
O4i—Mg3—O15	86.40 (10)	O11—C24—Mg3vi	60.98 (14)
O8ii—Mg3—O15	175.03 (10)	O12—C24—Mg3vi	59.53 (13)
O16—Mg3—O15B	79.4 (12)	C21—C24—Mg3vi	169.95 (18)
O4i—Mg3—O15B	95.7 (10)	O13—C25—N1	124.3 (3)
O8ii—Mg3—O15B	164.7 (9)	O13—C25—H25	117.9
O15—Mg3—O15B	10.6 (9)	N1—C25—H25	117.9
O16—Mg3—O12iii	161.12 (9)	N1—C26—H26A	109.5
O4i—Mg3—O12iii	95.39 (8)	N1—C26—H26B	109.5
O8ii—Mg3—O12iii	98.07 (8)	H26A—C26—H26B	109.5
O15—Mg3—O12iii	85.49 (11)	N1—C26—H26C	109.5
O15B—Mg3—O12iii	89.8 (13)	H26A—C26—H26C	109.5
O16—Mg3—O11iii	101.73 (8)	H26B—C26—H26C	109.5
O4i—Mg3—O11iii	155.71 (9)	N1—C27—H27A	109.5
O8ii—Mg3—O11iii	92.10 (8)	N1—C27—H27B	109.5
O15—Mg3—O11iii	86.60 (10)	H27A—C27—H27B	109.5
O15B—Mg3—O11iii	80.2 (12)	N1—C27—H27C	109.5
O12iii—Mg3—O11iii	60.87 (7)	H27A—C27—H27C	109.5
O16—Mg3—C24iii	130.95 (9)	H27B—C27—H27C	109.5
O4i—Mg3—C24iii	125.85 (9)	O14—C28—N2	124.3 (3)
O8ii—Mg3—C24iii	97.93 (8)	O14—C28—H28	117.8
O15—Mg3—C24iii	83.32 (11)	N2—C28—H28	117.8
O15B—Mg3—C24iii	82.0 (14)	N2—C29—H29A	109.5
O12iii—Mg3—C24iii	30.96 (8)	N2—C29—H29B	109.5
O11iii—Mg3—C24iii	30.04 (8)	H29A—C29—H29B	109.5
O16—Mg3—Mg2	163.43 (7)	N2—C29—H29C	109.5
O4i—Mg3—Mg2	76.26 (6)	H29A—C29—H29C	109.5
O8ii—Mg3—Mg2	74.89 (6)	H29B—C29—H29C	109.5
O15—Mg3—Mg2	109.72 (9)	N2—C30—H30A	109.5
O15B—Mg3—Mg2	117.1 (12)	N2—C30—H30B	109.5
O12iii—Mg3—Mg2	32.27 (5)	H30A—C30—H30B	109.5
O11iii—Mg3—Mg2	84.30 (6)	N2—C30—H30C	109.5
C24iii—Mg3—Mg2	58.19 (6)	H30A—C30—H30C	109.5
C1—O1—Mg1	128.18 (18)	H30B—C30—H30C	109.5
C1—O2—Mg2	141.34 (17)	C31—O15—Mg3	119.9 (2)
C8—O3—Mg2iv	140.36 (18)	O15—C31—N3	125.7 (3)
C8—O4—Mg3iv	126.01 (17)	O15—C31—H31	117.1
C9—O5—Mg1	123.60 (17)	N3—C31—H31	117.1
C9—O6—Mg2	142.32 (18)	C31—N3—C33	120.8 (3)
C16—O7—Mg2v	140.37 (17)	C31—N3—C32	121.8 (3)
C16—O8—Mg3v	130.02 (17)	C33—N3—C32	117.2 (3)
C17—O9—Mg1	88.66 (15)	C31B—O15B—Mg3	130 (3)
C17—O10—Mg2	131.15 (16)	O15B—C31B—N3B	126 (3)
C17—O10—Mg1	90.35 (15)	O15B—C31B—H31B	117.2
Mg2—O10—Mg1	113.81 (9)	N3B—C31B—H31B	117.2
C24—O11—Mg3vi	88.98 (15)	C31B—N3B—C33B	123 (2)
C24—O12—Mg2vi	131.40 (16)	C31B—N3B—C32B	121 (2)
C24—O12—Mg3vi	89.52 (15)	C33B—N3B—C32B	114 (2)
Mg2vi—O12—Mg3vi	114.08 (9)	N3B—C32B—H32D	109.5
C25—O13—Mg1	130.98 (18)	N3B—C32B—H32E	109.5
C28—O14—Mg1	123.08 (18)	H32D—C32B—H32E	109.5
C34—O16—Mg3	130.47 (19)	N3B—C32B—H32F	109.5
C25—N1—C26	121.1 (3)	H32D—C32B—H32F	109.5
C25—N1—C27	121.7 (3)	H32E—C32B—H32F	109.5
C26—N1—C27	117.0 (3)	N3B—C33B—H33D	109.5
C28—N2—C29	120.5 (3)	N3B—C33B—H33E	109.5
C28—N2—C30	122.5 (3)	H33D—C33B—H33E	109.5
C29—N2—C30	117.0 (2)	N3B—C33B—H33F	109.5
C34—N4—C35	120.0 (3)	H33D—C33B—H33F	109.5
C34—N4—C36	121.4 (3)	H33E—C33B—H33F	109.5
C35—N4—C36	118.6 (3)	O16—C34—N4	124.0 (3)
O2—C1—O1	126.7 (2)	O16—C34—H34	118.0
O2—C1—C2	116.5 (2)	N4—C34—H34	118.0
O1—C1—C2	116.9 (2)	N4—C35—H35A	109.5
C3—C2—C7	119.2 (2)	N4—C35—H35B	109.5
C3—C2—C1	122.4 (2)	H35A—C35—H35B	109.5
C7—C2—C1	118.4 (2)	N4—C35—H35C	109.5
C2—C3—C4	120.3 (2)	H35A—C35—H35C	109.5
C2—C3—H3	119.9	H35B—C35—H35C	109.5
C4—C3—H3	119.9	N4—C36—H36A	109.5
C5—C4—C3	120.1 (2)	N4—C36—H36B	109.5
C5—C4—H4	119.9	H36A—C36—H36B	109.5
C3—C4—H4	119.9	N4—C36—H36C	109.5
C6—C5—C4	119.4 (2)	H36A—C36—H36C	109.5
C6—C5—C8	119.3 (2)	H36B—C36—H36C	109.5
C4—C5—C8	121.2 (2)
O1—Mg1—Mg2—O6	−98.15 (9)	O9—Mg1—O13—C25	53.0 (3)
O13—Mg1—Mg2—O6	−100.7 (3)	C17—Mg1—O13—C25	61.3 (3)
O5—Mg1—Mg2—O6	3.81 (8)	Mg2—Mg1—O13—C25	−37.4 (5)
O14—Mg1—Mg2—O6	84.97 (9)	O13—Mg1—O14—C28	152.1 (2)
O10—Mg1—Mg2—O6	126.44 (11)	O5—Mg1—O14—C28	45.6 (2)
O9—Mg1—Mg2—O6	167.24 (8)	O10—Mg1—O14—C28	−50.2 (2)
C17—Mg1—Mg2—O6	150.99 (9)	O9—Mg1—O14—C28	−110.8 (2)
O1—Mg1—Mg2—O3i	81.68 (9)	C17—Mg1—O14—C28	−80.8 (2)
O13—Mg1—Mg2—O3i	79.1 (3)	Mg2—Mg1—O14—C28	−29.3 (2)
O5—Mg1—Mg2—O3i	−176.36 (9)	O4i—Mg3—O16—C34	101.4 (3)
O14—Mg1—Mg2—O3i	−95.20 (9)	O8ii—Mg3—O16—C34	4.7 (3)
O10—Mg1—Mg2—O3i	−53.73 (11)	O15—Mg3—O16—C34	−173.0 (3)
O9—Mg1—Mg2—O3i	−12.93 (9)	O15B—Mg3—O16—C34	−164.8 (11)
C17—Mg1—Mg2—O3i	−29.18 (9)	O12iii—Mg3—O16—C34	−109.0 (3)
O1—Mg1—Mg2—O2	8.12 (9)	O11iii—Mg3—O16—C34	−87.3 (3)
O13—Mg1—Mg2—O2	5.5 (3)	C24iii—Mg3—O16—C34	−95.3 (3)
O5—Mg1—Mg2—O2	110.07 (9)	Mg2—Mg3—O16—C34	22.7 (4)
O14—Mg1—Mg2—O2	−168.77 (9)	Mg2—O2—C1—O1	13.8 (5)
O10—Mg1—Mg2—O2	−127.30 (11)	Mg2—O2—C1—C2	−165.9 (2)
O9—Mg1—Mg2—O2	−86.50 (8)	Mg1—O1—C1—O2	4.3 (4)
C17—Mg1—Mg2—O2	−102.74 (9)	Mg1—O1—C1—C2	−175.96 (17)
O1—Mg1—Mg2—O7ii	−172.71 (9)	O2—C1—C2—C3	163.9 (3)
O13—Mg1—Mg2—O7ii	−175.3 (3)	O1—C1—C2—C3	−15.9 (4)
O5—Mg1—Mg2—O7ii	−70.76 (9)	O2—C1—C2—C7	−15.3 (4)
O14—Mg1—Mg2—O7ii	10.41 (10)	O1—C1—C2—C7	164.9 (3)
O10—Mg1—Mg2—O7ii	51.87 (11)	C7—C2—C3—C4	2.5 (4)
O9—Mg1—Mg2—O7ii	92.68 (8)	C1—C2—C3—C4	−176.7 (3)
C17—Mg1—Mg2—O7ii	76.43 (9)	C2—C3—C4—C5	−0.8 (4)
O1—Mg1—Mg2—O12iii	−47.37 (12)	C3—C4—C5—C6	−1.7 (4)
O13—Mg1—Mg2—O12iii	−50.0 (3)	C3—C4—C5—C8	175.4 (3)
O5—Mg1—Mg2—O12iii	54.58 (11)	C4—C5—C6—C7	2.5 (5)
O14—Mg1—Mg2—O12iii	135.75 (11)	C8—C5—C6—C7	−174.6 (3)
O10—Mg1—Mg2—O12iii	177.21 (14)	C5—C6—C7—C2	−0.8 (6)
O9—Mg1—Mg2—O12iii	−141.99 (11)	C3—C2—C7—C6	−1.7 (5)
C17—Mg1—Mg2—O12iii	−158.23 (12)	C1—C2—C7—C6	177.5 (3)
O1—Mg1—Mg2—O10	135.42 (11)	Mg2iv—O3—C8—O4	−34.2 (4)
O13—Mg1—Mg2—O10	132.8 (3)	Mg2iv—O3—C8—C5	144.0 (2)
O5—Mg1—Mg2—O10	−122.63 (11)	Mg3iv—O4—C8—O3	24.5 (4)
O14—Mg1—Mg2—O10	−41.47 (11)	Mg3iv—O4—C8—C5	−153.63 (18)
O9—Mg1—Mg2—O10	40.80 (10)	C6—C5—C8—O3	2.9 (4)
C17—Mg1—Mg2—O10	24.56 (11)	C4—C5—C8—O3	−174.2 (3)
O6—Mg2—Mg3—O16	−100.1 (2)	C6—C5—C8—O4	−178.8 (3)
O3i—Mg2—Mg3—O16	80.0 (2)	C4—C5—C8—O4	4.1 (4)
O2—Mg2—Mg3—O16	155.4 (2)	Mg2—O6—C9—O5	39.7 (5)
O7ii—Mg2—Mg3—O16	−23.9 (2)	Mg2—O6—C9—C10	−138.9 (2)
O12iii—Mg2—Mg3—O16	−153.1 (3)	Mg1—O5—C9—O6	−24.4 (4)
O10—Mg2—Mg3—O16	23.7 (3)	Mg1—O5—C9—C10	154.17 (18)
O6—Mg2—Mg3—O4i	177.61 (9)	O6—C9—C10—C15	10.5 (4)
O3i—Mg2—Mg3—O4i	−2.25 (8)	O5—C9—C10—C15	−168.1 (3)
O2—Mg2—Mg3—O4i	73.09 (9)	O6—C9—C10—C11	−171.5 (2)
O7ii—Mg2—Mg3—O4i	−106.16 (9)	O5—C9—C10—C11	9.8 (4)
O12iii—Mg2—Mg3—O4i	124.63 (11)	C15—C10—C11—C12	0.2 (4)
O10—Mg2—Mg3—O4i	−58.60 (13)	C9—C10—C11—C12	−177.7 (3)
O6—Mg2—Mg3—O8ii	−81.45 (9)	C10—C11—C12—C13	1.4 (4)
O3i—Mg2—Mg3—O8ii	98.69 (9)	C11—C12—C13—C14	−2.1 (4)
O2—Mg2—Mg3—O8ii	174.04 (9)	C11—C12—C13—C16	178.1 (3)
O7ii—Mg2—Mg3—O8ii	−5.22 (8)	C12—C13—C14—C15	1.3 (5)
O12iii—Mg2—Mg3—O8ii	−134.43 (11)	C16—C13—C14—C15	−178.9 (3)
O10—Mg2—Mg3—O8ii	42.34 (13)	C11—C10—C15—C14	−1.0 (4)
O6—Mg2—Mg3—O15	96.60 (11)	C9—C10—C15—C14	177.0 (3)
O3i—Mg2—Mg3—O15	−83.26 (11)	C13—C14—C15—C10	0.3 (5)
O2—Mg2—Mg3—O15	−7.92 (12)	Mg2v—O7—C16—O8	−9.1 (5)
O7ii—Mg2—Mg3—O15	172.82 (11)	Mg2v—O7—C16—C13	170.08 (19)
O12iii—Mg2—Mg3—O15	43.62 (12)	Mg3v—O8—C16—O7	−2.5 (4)
O10—Mg2—Mg3—O15	−139.61 (14)	Mg3v—O8—C16—C13	178.32 (17)
O6—Mg2—Mg3—O15B	88.2 (12)	C14—C13—C16—O7	6.4 (4)
O3i—Mg2—Mg3—O15B	−91.7 (12)	C12—C13—C16—O7	−173.8 (2)
O2—Mg2—Mg3—O15B	−16.3 (12)	C14—C13—C16—O8	−174.4 (3)
O7ii—Mg2—Mg3—O15B	164.4 (12)	C12—C13—C16—O8	5.4 (4)
O12iii—Mg2—Mg3—O15B	35.2 (12)	Mg1—O9—C17—O10	7.9 (2)
O10—Mg2—Mg3—O15B	−148.0 (12)	Mg1—O9—C17—C18	−169.1 (2)
O6—Mg2—Mg3—O12iii	52.98 (11)	Mg2—O10—C17—O9	114.6 (2)
O3i—Mg2—Mg3—O12iii	−126.88 (11)	Mg1—O10—C17—O9	−8.1 (2)
O2—Mg2—Mg3—O12iii	−51.54 (11)	Mg2—O10—C17—C18	−68.3 (3)
O7ii—Mg2—Mg3—O12iii	129.21 (11)	Mg1—O10—C17—C18	168.96 (19)
O10—Mg2—Mg3—O12iii	176.77 (15)	Mg2—O10—C17—Mg1	122.78 (19)
O6—Mg2—Mg3—O11iii	12.28 (8)	O1—Mg1—C17—O9	79.45 (15)
O3i—Mg2—Mg3—O11iii	−167.58 (8)	O13—Mg1—C17—O9	−16.80 (18)
O2—Mg2—Mg3—O11iii	−92.23 (9)	O5—Mg1—C17—O9	−173.53 (14)
O7ii—Mg2—Mg3—O11iii	88.51 (8)	O14—Mg1—C17—O9	−93.78 (15)
O12iii—Mg2—Mg3—O11iii	−40.70 (10)	O10—Mg1—C17—O9	172.0 (2)
O10—Mg2—Mg3—O11iii	136.07 (12)	Mg2—Mg1—C17—O9	146.06 (16)
O6—Mg2—Mg3—C24iii	28.17 (9)	O1—Mg1—C17—O10	−92.53 (14)
O3i—Mg2—Mg3—C24iii	−151.69 (9)	O13—Mg1—C17—O10	171.22 (13)
O2—Mg2—Mg3—C24iii	−76.35 (10)	O5—Mg1—C17—O10	14.49 (17)
O7ii—Mg2—Mg3—C24iii	104.40 (9)	O14—Mg1—C17—O10	94.24 (14)
O12iii—Mg2—Mg3—C24iii	−24.81 (11)	O9—Mg1—C17—O10	−172.0 (2)
O10—Mg2—Mg3—C24iii	151.96 (13)	Mg2—Mg1—C17—O10	−25.92 (11)
O13—Mg1—O1—C1	170.4 (2)	O9—C17—C18—C23	156.9 (2)
O5—Mg1—O1—C1	−83.5 (2)	O10—C17—C18—C23	−20.2 (3)
O10—Mg1—O1—C1	13.5 (2)	O9—C17—C18—C19	−21.0 (4)
O9—Mg1—O1—C1	73.9 (2)	O10—C17—C18—C19	162.0 (2)
C17—Mg1—O1—C1	44.5 (2)	C23—C18—C19—C20	0.8 (4)
Mg2—Mg1—O1—C1	−8.9 (2)	C17—C18—C19—C20	178.6 (2)
O6—Mg2—O2—C1	45.6 (3)	C18—C19—C20—C21	−0.7 (4)
O3i—Mg2—O2—C1	−135.8 (3)	C19—C20—C21—C22	0.3 (4)
O12iii—Mg2—O2—C1	136.3 (3)	C19—C20—C21—C24	177.0 (2)
O10—Mg2—O2—C1	−40.9 (3)	C20—C21—C22—C23	0.1 (4)
Mg1—Mg2—O2—C1	−14.6 (3)	C24—C21—C22—C23	−176.6 (2)
O1—Mg1—O5—C9	81.0 (2)	C19—C18—C23—C22	−0.4 (4)
O13—Mg1—O5—C9	172.94 (19)	C17—C18—C23—C22	−178.2 (2)
O14—Mg1—O5—C9	−104.2 (2)	C21—C22—C23—C18	−0.1 (4)
O10—Mg1—O5—C9	−19.3 (2)	Mg3vi—O11—C24—O12	−7.1 (2)
O9—Mg1—O5—C9	−34.2 (3)	Mg3vi—O11—C24—C21	168.6 (2)
C17—Mg1—O5—C9	−26.6 (2)	Mg2vi—O12—C24—O11	−115.2 (2)
Mg2—Mg1—O5—C9	7.69 (18)	Mg3vi—O12—C24—O11	7.2 (2)
O2—Mg2—O6—C9	−85.1 (3)	Mg2vi—O12—C24—C21	69.0 (3)
O7ii—Mg2—O6—C9	93.4 (3)	Mg3vi—O12—C24—C21	−168.5 (2)
O12iii—Mg2—O6—C9	−176.3 (3)	Mg2vi—O12—C24—Mg3vi	−122.45 (19)
O10—Mg2—O6—C9	3.1 (3)	C20—C21—C24—O11	−156.0 (2)
Mg3—Mg2—O6—C9	157.5 (3)	C22—C21—C24—O11	20.7 (4)
Mg1—Mg2—O6—C9	−23.5 (3)	C20—C21—C24—O12	19.7 (4)
O1—Mg1—O9—C17	−103.77 (15)	C22—C21—C24—O12	−163.6 (2)
O13—Mg1—O9—C17	166.29 (15)	C20—C21—C24—Mg3vi	−59.0 (12)
O5—Mg1—O9—C17	12.5 (3)	C22—C21—C24—Mg3vi	117.7 (10)
O14—Mg1—O9—C17	82.75 (15)	Mg1—O13—C25—N1	−119.3 (3)
O10—Mg1—O9—C17	−4.69 (13)	C26—N1—C25—O13	−2.7 (4)
Mg2—Mg1—O9—C17	−28.45 (13)	C27—N1—C25—O13	−176.8 (3)
O6—Mg2—O10—C17	−159.9 (2)	Mg1—O14—C28—N2	−166.9 (2)
O3i—Mg2—O10—C17	20.6 (2)	C29—N2—C28—O14	0.9 (5)
O2—Mg2—O10—C17	−66.5 (2)	C30—N2—C28—O14	−179.0 (3)
O7ii—Mg2—O10—C17	113.4 (2)	O16—Mg3—O15—C31	−153.7 (3)
Mg3—Mg2—O10—C17	70.4 (3)	O4i—Mg3—O15—C31	−52.5 (3)
Mg1—Mg2—O10—C17	−113.2 (2)	O15B—Mg3—O15—C31	157 (8)
O6—Mg2—O10—Mg1	−46.69 (9)	O12iii—Mg3—O15—C31	43.2 (3)
O3i—Mg2—O10—Mg1	133.84 (9)	O11iii—Mg3—O15—C31	104.3 (3)
O2—Mg2—O10—Mg1	46.74 (10)	C24iii—Mg3—O15—C31	74.3 (3)
O7ii—Mg2—O10—Mg1	−133.39 (9)	Mg2—Mg3—O15—C31	21.6 (3)
Mg3—Mg2—O10—Mg1	−176.40 (6)	Mg3—O15—C31—N3	172.7 (3)
O1—Mg1—O10—C17	92.63 (14)	O15—C31—N3—C33	0.0 (6)
O13—Mg1—O10—C17	−17.4 (3)	O15—C31—N3—C32	175.8 (4)
O5—Mg1—O10—C17	−168.17 (14)	O16—Mg3—O15B—C31B	−109 (4)
O14—Mg1—O10—C17	−82.30 (14)	O4i—Mg3—O15B—C31B	−9 (4)
O9—Mg1—O10—C17	4.59 (13)	O8ii—Mg3—O15B—C31B	−152 (3)
Mg2—Mg1—O10—C17	136.21 (17)	O15—Mg3—O15B—C31B	21 (5)
O1—Mg1—O10—Mg2	−43.59 (10)	O12iii—Mg3—O15B—C31B	87 (4)
O13—Mg1—O10—Mg2	−153.57 (16)	O11iii—Mg3—O15B—C31B	147 (5)
O5—Mg1—O10—Mg2	55.62 (10)	C24iii—Mg3—O15B—C31B	117 (4)
O14—Mg1—O10—Mg2	141.49 (10)	Mg2—Mg3—O15B—C31B	69 (5)
O9—Mg1—O10—Mg2	−131.63 (11)	Mg3—O15B—C31B—N3B	−117 (5)
C17—Mg1—O10—Mg2	−136.21 (17)	O15B—C31B—N3B—C33B	178 (5)
O1—Mg1—O13—C25	−39.9 (3)	O15B—C31B—N3B—C32B	15 (7)
O5—Mg1—O13—C25	−138.3 (2)	Mg3—O16—C34—N4	−108.5 (3)
O14—Mg1—O13—C25	137.2 (3)	C35—N4—C34—O16	−1.6 (5)
O10—Mg1—O13—C25	72.1 (3)	C36—N4—C34—O16	−179.3 (3)