Aqua-{6,6'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}methano-lmanganese(III)) perchlorate hemihydrate.

The asymmetric unit of the title compound, [Mn(C(18)H(18)N(2)O(4))(CH(3)OH)(H(2)O)]ClO(4)·0.5H(2)O, contains two complex cations and two perchlorate anions, one of which is disordered over two positions in a 0.767 (8):0.233 (8) ratio. The Mn(III) atoms are in distorted octa-hedral environments. In addition to the equatorial tetra-dentate salicylaldimine ligand, each Mn is axially coordinated by both a methanol and a water mol-ecule. The complex is a dimer held together by multiple strong and weak hydrogen-bonding inter-actions between the coordinated water mol-ecule on one monomer with all the phenolic and meth-oxy O atoms on the other monomer. In addition, the two perchlorate anions are linked by hydrogen bonds to the two methanol mol-ecules coordinated to each Mn center. The Mn-O phenolic bond distances range from 1.868 (2) to 1.882 (2) Å while the Mn-N distances range from 1.978 (2) to 1.981 (2) Å. Mn-O distances for the axial water and methanol ligands are longer at 2.226 (2)/2.257 (2) and 2.313 (2)/2.324 (2) Å, reflecting the usual Jahn-Teller distortion as found in Mn(III) complexes.

Related literature

For background to the use of class="Chemical">manganese–n class="Chemical">salen compounds as single mol­ecule magnets, see: Mandal et al. (2009 ▶); Miyasaka et al. (2007 ▶); Yuan et al. (2007 ▶). For the use of Mn(III)–salen complexes as catalysts, see: Abashkin & Burt (2004 ▶); Chatto­padhyay et al. (2007 ▶); Katsuki (2000 ▶).

Experimental

Crystal data

[class="Chemical">Mn(C18H18N2O4)(CH4O)(H2O)]ClO4·0.5H2O

M = 539.80

Monoclinic,

a = 22.7438 (15) Å

b = 13.3986 (9) Å

c = 16.3266 (10) Å

β = 101.324 (7)°

V = 4878.4 (5) Å3

Z = 8

Mo Kα radiation

μ = 0.71 mm−1

T = 115 K

0.55 × 0.35 × 0.31 mm

Data collection

Oxford Diffraction Xcalibur diffractometer with a Ruby (Gemini Mo) detector

Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2007 ▶) T min = 0.610, T max = 1.000

19303 measured reflections

13163 independent reflections

10458 reflections with I > 2σ(I)

R int = 0.036

Refinement

R[F 2 > 2σ(F 2)] = 0.048

wR(F 2) = 0.127

S = 0.98

13163 reflections

631 parameters

55 restraints

class="Disease">H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.74 e Å−3

Δρmin = −0.84 e Å−3

Absolute structure: Flack (1983 ▶), 3800 Friedel pairs

Flack parameter: 0.254 (13)

Data collection: CrysAlis PRO (Oxford Diffraction, 2007 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810023366/jj2037sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810023366/jj2037Isup2.hkl

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

[Mn(C18H18N2O4)(CH4O)(H2O)]ClO4·0.5H2O	F(000) = 2232
Mr = 539.80	Dx = 1.470 Mg m−3
Monoclinic, C2	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: C 2y	Cell parameters from 7290 reflections
a = 22.7438 (15) Å	θ = 4.7–32.7°
b = 13.3986 (9) Å	µ = 0.71 mm−1
c = 16.3266 (10) Å	T = 115 K
β = 101.324 (7)°	Prism, black
V = 4878.4 (5) Å3	0.55 × 0.35 × 0.31 mm
Z = 8

Oxford Diffraction Xcalibur diffractometer with a Ruby (Gemini Mo) detector	13163 independent reflections
Radiation source: Enhance (Mo) X-ray Source	10458 reflections with I > 2σ(I)
graphite	Rint = 0.036
Detector resolution: 10.5081 pixels mm-1	θmax = 32.8°, θmin = 4.7°
ω scans	h = −20→33
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2007)	k = −20→19
Tmin = 0.610, Tmax = 1.000	l = −23→24
19303 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.048	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.127	w = 1/[σ2(Fo2) + (0.0828P)2] where P = (Fo2 + 2Fc2)/3
S = 0.98	(Δ/σ)max = 0.001
13163 reflections	Δρmax = 0.74 e Å−3
631 parameters	Δρmin = −0.84 e Å−3
55 restraints	Absolute structure: Flack (1983), 3800 Friedel pairs
Primary atom site location: structure-invariant direct methods	Flack parameter: 0.254 (13)

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)
Mn1	0.284266 (19)	0.22062 (6)	0.31977 (3)	0.02020 (10)
O1A	0.20506 (9)	0.20431 (17)	0.33561 (13)	0.0238 (4)
O2A	0.26446 (9)	0.19945 (17)	0.20359 (12)	0.0230 (4)
O3A	0.08934 (11)	0.2039 (2)	0.31066 (19)	0.0413 (6)
O4A	0.21244 (11)	0.16204 (18)	0.05267 (13)	0.0287 (5)
O1SA	0.26218 (9)	0.38821 (17)	0.29203 (13)	0.0246 (4)
H1SA	0.2885	0.4128	0.2683	0.030*
O1WA	0.30967 (9)	0.06162 (17)	0.34674 (13)	0.0228 (4)
H1W1	0.2831 (12)	0.0331 (15)	0.363 (2)	0.034*
H1W2	0.3150 (16)	0.0339 (16)	0.3049 (15)	0.034*
N1A	0.31187 (12)	0.2484 (2)	0.44013 (15)	0.0255 (5)
N2A	0.36935 (11)	0.2478 (2)	0.31556 (15)	0.0232 (5)
C1A	0.18088 (15)	0.2407 (2)	0.3969 (2)	0.0268 (6)
C2A	0.11764 (16)	0.2419 (3)	0.3859 (3)	0.0359 (8)
C3A	0.02547 (17)	0.1982 (4)	0.2937 (4)	0.0614 (14)
H3AA	0.0124	0.1557	0.3357	0.092*
H3AB	0.0115	0.1696	0.2381	0.092*
H3AC	0.0087	0.2652	0.2959	0.092*
C4A	0.08952 (19)	0.2788 (3)	0.4481 (3)	0.0477 (10)
H4AA	0.0470	0.2798	0.4396	0.057*
C5A	0.1234 (2)	0.3140 (4)	0.5226 (3)	0.0572 (13)
H5AA	0.1040	0.3384	0.5650	0.069*
C6A	0.1845 (2)	0.3138 (3)	0.5352 (2)	0.0429 (9)
H6AA	0.2072	0.3389	0.5862	0.051*
C7A	0.21462 (16)	0.2769 (2)	0.4740 (2)	0.0303 (7)
C8A	0.27886 (17)	0.2726 (2)	0.4925 (2)	0.0294 (7)
H8AA	0.2985	0.2888	0.5477	0.035*
C9A	0.37745 (15)	0.2394 (3)	0.46612 (19)	0.0315 (7)
H9AA	0.3889	0.1686	0.4764	0.038*
H9AB	0.3916	0.2775	0.5183	0.038*
C10A	0.40551 (15)	0.2815 (3)	0.39549 (19)	0.0302 (7)
H10C	0.4062	0.3553	0.3979	0.036*
H10D	0.4473	0.2574	0.4012	0.036*
C11A	0.39377 (14)	0.2389 (2)	0.25053 (19)	0.0239 (6)
H11B	0.4358	0.2498	0.2582	0.029*
C12A	0.36241 (14)	0.2138 (2)	0.16743 (18)	0.0243 (6)
C13A	0.39642 (16)	0.2077 (3)	0.1042 (2)	0.0304 (7)
H13A	0.4386	0.2172	0.1178	0.037*
C14A	0.36904 (17)	0.1882 (3)	0.0230 (2)	0.0336 (7)
H14B	0.3920	0.1855	−0.0196	0.040*
C15A	0.30703 (18)	0.1723 (3)	0.00364 (19)	0.0326 (8)
H15B	0.2882	0.1584	−0.0524	0.039*
C16A	0.27278 (15)	0.1765 (2)	0.06459 (18)	0.0258 (6)
C17A	0.18066 (17)	0.1551 (3)	−0.0314 (2)	0.0335 (7)
H17A	0.1841	0.2184	−0.0602	0.050*
H17B	0.1383	0.1409	−0.0320	0.050*
H17C	0.1977	0.1012	−0.0600	0.050*
C18A	0.30015 (14)	0.1966 (2)	0.14890 (17)	0.0206 (5)
C1SA	0.20369 (15)	0.4126 (3)	0.2451 (2)	0.0328 (7)
H1SC	0.2047	0.4791	0.2204	0.049*
H1SD	0.1747	0.4121	0.2823	0.049*
H1SE	0.1918	0.3633	0.2006	0.049*
Mn2	0.175942 (18)	−0.06031 (6)	0.20590 (2)	0.01856 (9)
O1B	0.19422 (8)	−0.04764 (19)	0.32295 (12)	0.0240 (4)
O2B	0.25505 (9)	−0.03912 (17)	0.19454 (12)	0.0214 (4)
O3B	0.24161 (9)	0.01694 (19)	0.46979 (12)	0.0247 (4)
O4B	0.36976 (9)	−0.03079 (18)	0.22170 (13)	0.0252 (4)
O1SB	0.19546 (10)	−0.22959 (18)	0.21297 (15)	0.0295 (5)
H1SB	0.1695	−0.2683	0.2252	0.035*
O1WB	0.14964 (10)	0.10166 (17)	0.18614 (14)	0.0271 (5)
H1W3	0.1767 (13)	0.1277 (16)	0.167 (2)	0.041*
H1W4	0.1538 (16)	0.1265 (16)	0.2332 (13)	0.041*
N1B	0.09088 (10)	−0.0906 (2)	0.20692 (15)	0.0208 (5)
N2B	0.14853 (10)	−0.0746 (2)	0.08354 (14)	0.0195 (5)
C1B	0.15614 (13)	−0.0289 (2)	0.37347 (17)	0.0191 (5)
C2B	0.18095 (13)	0.0050 (2)	0.45525 (16)	0.0194 (5)
C3B	0.27128 (14)	0.0354 (3)	0.55419 (18)	0.0272 (6)
H3BA	0.2585	0.1002	0.5724	0.041*
H3BB	0.3148	0.0361	0.5574	0.041*
H3BC	0.2609	−0.0173	0.5905	0.041*
C4B	0.14463 (14)	0.0239 (2)	0.51249 (18)	0.0254 (6)
H4BA	0.1617	0.0470	0.5670	0.030*
C5B	0.08227 (14)	0.0086 (3)	0.48935 (19)	0.0283 (6)
H5BA	0.0572	0.0218	0.5282	0.034*
C6B	0.05785 (14)	−0.0251 (3)	0.41128 (19)	0.0262 (6)
H6BA	0.0158	−0.0357	0.3965	0.031*
C7B	0.09403 (12)	−0.0446 (2)	0.35185 (16)	0.0210 (5)
C8B	0.06494 (12)	−0.0778 (2)	0.26962 (18)	0.0221 (6)
H8BA	0.0232	−0.0913	0.2610	0.027*
C9B	0.05733 (13)	−0.1273 (3)	0.12582 (18)	0.0256 (6)
H9BA	0.0141	−0.1124	0.1200	0.031*
H9BB	0.0624	−0.2003	0.1214	0.031*
C10B	0.08281 (12)	−0.0736 (3)	0.05825 (17)	0.0259 (6)
H10A	0.0703	−0.1079	0.0039	0.031*
H10B	0.0680	−0.0040	0.0523	0.031*
C11B	0.18300 (13)	−0.0831 (2)	0.02926 (17)	0.0203 (5)
H11A	0.1642	−0.0935	−0.0274	0.024*
C12B	0.24705 (13)	−0.0780 (2)	0.04822 (17)	0.0203 (5)
C13B	0.27827 (15)	−0.0926 (3)	−0.01842 (19)	0.0265 (6)
H13B	0.2563	−0.1053	−0.0732	0.032*
C14B	0.33933 (15)	−0.0886 (3)	−0.0047 (2)	0.0321 (7)
H14A	0.3597	−0.0983	−0.0496	0.038*
C15B	0.37194 (14)	−0.0700 (3)	0.07584 (19)	0.0288 (6)
H15A	0.4145	−0.0693	0.0857	0.035*
C16B	0.34283 (12)	−0.0528 (2)	0.14082 (17)	0.0220 (5)
C17B	0.43359 (14)	−0.0242 (3)	0.2403 (2)	0.0343 (7)
H17D	0.4508	−0.0870	0.2251	0.051*
H17E	0.4473	−0.0118	0.3001	0.051*
H17F	0.4466	0.0307	0.2083	0.051*
C18B	0.27935 (12)	−0.0572 (2)	0.12807 (16)	0.0192 (5)
C1SB	0.25317 (16)	−0.2747 (3)	0.2351 (2)	0.0356 (7)
H2SA	0.2832	−0.2312	0.2179	0.053*
H2SB	0.2528	−0.3394	0.2069	0.053*
H2SC	0.2632	−0.2846	0.2957	0.053*
Cl1	0.39136 (3)	0.51826 (7)	0.21382 (4)	0.02536 (15)
O11	0.33111 (11)	0.4789 (2)	0.18945 (15)	0.0389 (6)
O12	0.38896 (13)	0.6234 (2)	0.21341 (19)	0.0485 (7)
O13	0.41788 (12)	0.4822 (2)	0.29518 (15)	0.0438 (7)
O14	0.42573 (13)	0.4846 (3)	0.15440 (19)	0.0575 (9)
Cl2	0.07547 (4)	−0.35939 (7)	0.29865 (7)	0.0554 (3)
O21	0.13420 (10)	−0.3178 (3)	0.3221 (2)	0.0422 (9)	0.767 (8)
O22	0.07724 (17)	−0.46343 (15)	0.3180 (3)	0.0489 (11)	0.767 (8)
O23	0.0539 (2)	−0.3456 (4)	0.21119 (14)	0.107 (2)	0.767 (8)
O24	0.03594 (15)	−0.3100 (3)	0.3440 (3)	0.0821 (18)	0.767 (8)
O21B	0.1283 (3)	−0.3092 (9)	0.3406 (7)	0.0422 (9)	0.233 (8)
O22B	0.0679 (6)	−0.4497 (6)	0.3420 (8)	0.0489 (11)	0.233 (8)
O23B	0.0813 (7)	−0.3824 (11)	0.2151 (4)	0.107 (2)	0.233 (8)
O24B	0.0246 (4)	−0.2964 (7)	0.2968 (10)	0.0821 (18)	0.233 (8)

	U11	U22	U33	U12	U13	U23
Mn1	0.0235 (2)	0.0206 (2)	0.01571 (18)	−0.00317 (17)	0.00203 (15)	−0.00269 (17)
O1A	0.0259 (10)	0.0225 (11)	0.0236 (10)	−0.0017 (9)	0.0066 (8)	−0.0033 (9)
O2A	0.0262 (10)	0.0238 (11)	0.0177 (9)	−0.0024 (8)	0.0008 (7)	−0.0059 (8)
O3A	0.0260 (11)	0.0359 (14)	0.0597 (17)	0.0011 (10)	0.0026 (11)	−0.0045 (13)
O4A	0.0384 (12)	0.0271 (11)	0.0172 (9)	−0.0029 (10)	−0.0027 (8)	0.0002 (9)
O1SA	0.0272 (11)	0.0234 (10)	0.0238 (10)	0.0006 (9)	0.0062 (8)	−0.0005 (9)
O1WA	0.0257 (10)	0.0239 (10)	0.0190 (10)	−0.0047 (8)	0.0045 (8)	−0.0032 (8)
N1A	0.0340 (14)	0.0223 (12)	0.0188 (11)	−0.0074 (11)	0.0020 (10)	−0.0003 (10)
N2A	0.0252 (12)	0.0254 (12)	0.0172 (10)	−0.0043 (10)	−0.0001 (9)	−0.0010 (10)
C1A	0.0337 (16)	0.0189 (14)	0.0303 (15)	0.0022 (12)	0.0125 (12)	0.0041 (12)
C2A	0.0378 (18)	0.0248 (16)	0.048 (2)	0.0071 (14)	0.0169 (15)	0.0058 (15)
C3A	0.0229 (17)	0.057 (3)	0.100 (4)	0.0107 (18)	0.000 (2)	0.012 (3)
C4A	0.045 (2)	0.041 (2)	0.065 (3)	0.0127 (18)	0.030 (2)	0.006 (2)
C5A	0.081 (3)	0.043 (2)	0.062 (3)	0.008 (2)	0.050 (3)	0.002 (2)
C6A	0.072 (3)	0.0278 (16)	0.0364 (19)	0.0006 (18)	0.0280 (18)	−0.0016 (15)
C7A	0.0475 (19)	0.0191 (13)	0.0274 (15)	−0.0011 (14)	0.0146 (14)	0.0020 (13)
C8A	0.0503 (19)	0.0198 (14)	0.0188 (13)	−0.0080 (14)	0.0083 (13)	−0.0005 (12)
C9A	0.0364 (17)	0.0347 (18)	0.0202 (14)	−0.0083 (14)	−0.0019 (12)	0.0038 (14)
C10A	0.0325 (16)	0.0335 (16)	0.0219 (14)	−0.0124 (14)	−0.0011 (12)	−0.0043 (13)
C11A	0.0240 (13)	0.0215 (14)	0.0258 (14)	−0.0002 (11)	0.0040 (11)	0.0023 (12)
C12A	0.0344 (15)	0.0161 (12)	0.0242 (13)	0.0003 (12)	0.0099 (11)	0.0033 (12)
C13A	0.0411 (18)	0.0223 (14)	0.0304 (15)	−0.0038 (14)	0.0132 (13)	0.0022 (13)
C14A	0.054 (2)	0.0261 (16)	0.0248 (15)	−0.0045 (15)	0.0169 (14)	0.0035 (13)
C15A	0.061 (2)	0.0207 (14)	0.0153 (13)	−0.0006 (15)	0.0054 (13)	−0.0005 (12)
C16A	0.0434 (17)	0.0143 (12)	0.0186 (13)	−0.0001 (12)	0.0034 (12)	0.0005 (11)
C17A	0.051 (2)	0.0261 (16)	0.0186 (14)	−0.0049 (15)	−0.0060 (13)	−0.0020 (12)
C18A	0.0324 (14)	0.0127 (12)	0.0154 (11)	−0.0010 (11)	0.0011 (10)	−0.0005 (10)
C1SA	0.0329 (16)	0.0329 (17)	0.0312 (16)	0.0044 (14)	0.0024 (12)	0.0033 (14)
Mn2	0.01845 (18)	0.0221 (2)	0.01472 (18)	−0.00026 (17)	0.00234 (13)	−0.00233 (17)
O1B	0.0199 (9)	0.0345 (13)	0.0179 (9)	−0.0008 (9)	0.0049 (7)	−0.0054 (9)
O2B	0.0218 (9)	0.0262 (11)	0.0168 (9)	−0.0032 (8)	0.0051 (7)	−0.0021 (8)
O3B	0.0241 (10)	0.0340 (12)	0.0152 (9)	−0.0039 (9)	0.0019 (7)	−0.0006 (9)
O4B	0.0186 (9)	0.0295 (11)	0.0263 (10)	0.0016 (8)	0.0017 (7)	0.0007 (9)
O1SB	0.0304 (11)	0.0217 (11)	0.0371 (12)	0.0018 (9)	0.0087 (9)	0.0017 (10)
O1WB	0.0296 (11)	0.0216 (10)	0.0295 (11)	−0.0024 (9)	0.0043 (9)	−0.0035 (9)
N1B	0.0207 (11)	0.0223 (11)	0.0184 (11)	−0.0001 (9)	0.0013 (8)	−0.0026 (9)
N2B	0.0198 (10)	0.0207 (12)	0.0167 (10)	0.0001 (9)	0.0000 (8)	0.0008 (9)
C1B	0.0236 (13)	0.0177 (12)	0.0173 (12)	0.0036 (10)	0.0071 (10)	0.0024 (10)
C2B	0.0250 (13)	0.0201 (13)	0.0137 (11)	−0.0014 (11)	0.0050 (9)	0.0023 (10)
C3B	0.0345 (16)	0.0268 (15)	0.0182 (13)	−0.0054 (13)	−0.0003 (11)	0.0024 (12)
C4B	0.0369 (16)	0.0237 (14)	0.0172 (12)	−0.0030 (13)	0.0092 (11)	−0.0007 (12)
C5B	0.0317 (15)	0.0334 (16)	0.0236 (14)	0.0019 (13)	0.0148 (11)	0.0016 (13)
C6B	0.0230 (13)	0.0329 (16)	0.0242 (13)	−0.0001 (12)	0.0083 (11)	−0.0019 (13)
C7B	0.0225 (12)	0.0242 (14)	0.0163 (11)	−0.0011 (11)	0.0039 (9)	0.0016 (11)
C8B	0.0190 (12)	0.0232 (15)	0.0243 (13)	0.0022 (11)	0.0047 (10)	0.0011 (12)
C9B	0.0192 (13)	0.0358 (17)	0.0206 (13)	−0.0048 (12)	0.0015 (10)	−0.0087 (13)
C10B	0.0207 (12)	0.0360 (17)	0.0187 (12)	−0.0003 (13)	−0.0017 (9)	−0.0059 (13)
C11B	0.0280 (13)	0.0168 (12)	0.0152 (11)	−0.0039 (11)	0.0020 (10)	−0.0024 (10)
C12B	0.0248 (13)	0.0192 (13)	0.0175 (11)	−0.0002 (11)	0.0055 (9)	0.0000 (11)
C13B	0.0355 (16)	0.0258 (14)	0.0195 (13)	−0.0021 (13)	0.0083 (11)	−0.0034 (12)
C14B	0.0342 (16)	0.0383 (18)	0.0256 (15)	0.0035 (14)	0.0107 (12)	−0.0016 (14)
C15B	0.0261 (14)	0.0341 (17)	0.0272 (14)	0.0035 (14)	0.0078 (11)	−0.0022 (14)
C16B	0.0238 (12)	0.0200 (13)	0.0222 (12)	0.0009 (12)	0.0046 (10)	−0.0007 (12)
C17B	0.0250 (15)	0.045 (2)	0.0304 (16)	0.0016 (14)	0.0010 (12)	0.0012 (15)
C18B	0.0221 (11)	0.0149 (11)	0.0204 (11)	−0.0012 (11)	0.0036 (9)	0.0014 (11)
C1SB	0.0391 (17)	0.0331 (17)	0.0341 (16)	0.0072 (15)	0.0061 (13)	0.0076 (15)
Cl1	0.0251 (3)	0.0284 (3)	0.0208 (3)	−0.0007 (3)	0.0000 (2)	0.0038 (3)
O11	0.0317 (12)	0.0508 (16)	0.0313 (12)	−0.0159 (11)	−0.0005 (9)	0.0119 (11)
O12	0.0504 (16)	0.0237 (12)	0.0629 (18)	−0.0003 (12)	−0.0096 (14)	0.0024 (13)
O13	0.0422 (14)	0.0570 (17)	0.0265 (12)	−0.0075 (13)	−0.0074 (10)	0.0143 (12)
O14	0.0433 (15)	0.085 (3)	0.0461 (16)	0.0162 (16)	0.0144 (12)	−0.0123 (16)
Cl2	0.0366 (5)	0.0504 (6)	0.0679 (7)	−0.0131 (4)	−0.0175 (4)	0.0301 (6)
O21	0.0329 (14)	0.063 (2)	0.029 (2)	−0.0123 (14)	0.0022 (12)	0.0160 (16)
O22	0.043 (2)	0.0374 (18)	0.070 (3)	0.0021 (15)	0.0215 (18)	0.0097 (19)
O23	0.096 (4)	0.117 (4)	0.078 (3)	−0.050 (3)	−0.058 (3)	0.057 (3)
O24	0.0325 (19)	0.074 (3)	0.125 (5)	0.0189 (19)	−0.019 (2)	−0.004 (3)
O21B	0.0329 (14)	0.063 (2)	0.029 (2)	−0.0123 (14)	0.0022 (12)	0.0160 (16)
O22B	0.043 (2)	0.0374 (18)	0.070 (3)	0.0021 (15)	0.0215 (18)	0.0097 (19)
O23B	0.096 (4)	0.117 (4)	0.078 (3)	−0.050 (3)	−0.058 (3)	0.057 (3)
O24B	0.0325 (19)	0.074 (3)	0.125 (5)	0.0189 (19)	−0.019 (2)	−0.004 (3)

Mn1—O1A	1.882 (2)	O1B—C1B	1.332 (3)
Mn1—O2A	1.883 (2)	O2B—C18B	1.333 (3)
Mn1—N1A	1.977 (3)	O3B—C2B	1.363 (3)
Mn1—N2A	1.983 (3)	O3B—C3B	1.432 (3)
Mn1—O1WA	2.229 (2)	O4B—C16B	1.374 (4)
Mn1—O1SA	2.326 (2)	O4B—C17B	1.426 (4)
O1A—C1A	1.325 (4)	O1SB—C1SB	1.426 (4)
O2A—C18A	1.320 (4)	O1SB—H1SB	0.8400
O3A—C2A	1.369 (5)	O1WB—H1W3	0.821 (17)
O3A—C3A	1.427 (4)	O1WB—H1W4	0.826 (17)
O4A—C16A	1.362 (4)	N1B—C8B	1.289 (4)
O4A—C17A	1.424 (4)	N1B—C9B	1.476 (4)
O1SA—C1SA	1.437 (4)	N2B—C11B	1.298 (3)
O1SA—H1SA	0.8400	N2B—C10B	1.470 (3)
O1WA—H1W1	0.802 (17)	C1B—C7B	1.403 (4)
O1WA—H1W2	0.807 (17)	C1B—C2B	1.418 (4)
N1A—C8A	1.285 (4)	C2B—C4B	1.386 (4)
N1A—C9A	1.473 (4)	C3B—H3BA	0.9800
N2A—C11A	1.297 (4)	C3B—H3BB	0.9800
N2A—C10A	1.470 (4)	C3B—H3BC	0.9800
C1A—C2A	1.414 (5)	C4B—C5B	1.409 (4)
C1A—C7A	1.425 (5)	C4B—H4BA	0.9500
C2A—C4A	1.393 (5)	C5B—C6B	1.363 (4)
C3A—H3AA	0.9800	C5B—H5BA	0.9500
C3A—H3AB	0.9800	C6B—C7B	1.414 (4)
C3A—H3AC	0.9800	C6B—H6BA	0.9500
C4A—C5A	1.389 (7)	C7B—C8B	1.445 (4)
C4A—H4AA	0.9500	C8B—H8BA	0.9500
C5A—C6A	1.364 (6)	C9B—C10B	1.524 (4)
C5A—H5AA	0.9500	C9B—H9BA	0.9900
C6A—C7A	1.408 (5)	C9B—H9BB	0.9900
C6A—H6AA	0.9500	C10B—H10A	0.9900
C7A—C8A	1.434 (5)	C10B—H10B	0.9900
C8A—H8AA	0.9500	C11B—C12B	1.430 (4)
C9A—C10A	1.531 (5)	C11B—H11A	0.9500
C9A—H9AA	0.9900	C12B—C18B	1.393 (4)
C9A—H9AB	0.9900	C12B—C13B	1.425 (4)
C10A—H10C	0.9900	C13B—C14B	1.364 (5)
C10A—H10D	0.9900	C13B—H13B	0.9500
C11A—C12A	1.443 (4)	C14B—C15B	1.399 (5)
C11A—H11B	0.9500	C14B—H14A	0.9500
C12A—C18A	1.407 (4)	C15B—C16B	1.376 (4)
C12A—C13A	1.409 (4)	C15B—H15A	0.9500
C13A—C14A	1.375 (5)	C16B—C18B	1.419 (4)
C13A—H13A	0.9500	C17B—H17D	0.9800
C14A—C15A	1.400 (5)	C17B—H17E	0.9800
C14A—H14B	0.9500	C17B—H17F	0.9800
C15A—C16A	1.380 (5)	C1SB—H2SA	0.9800
C15A—H15B	0.9500	C1SB—H2SB	0.9800
C16A—C18A	1.421 (4)	C1SB—H2SC	0.9800
C17A—H17A	0.9800	Cl1—O12	1.410 (3)
C17A—H17B	0.9800	Cl1—O13	1.431 (2)
C17A—H17C	0.9800	Cl1—O14	1.433 (3)
C1SA—H1SC	0.9800	Cl1—O11	1.449 (2)
C1SA—H1SD	0.9800	Cl2—O23	1.4279 (19)
C1SA—H1SE	0.9800	Cl2—O22	1.4281 (19)
Mn2—O2B	1.866 (2)	Cl2—O21	1.4284 (19)
Mn2—O1B	1.8819 (19)	Cl2—O24B	1.429 (2)
Mn2—N1B	1.980 (2)	Cl2—O22B	1.4291 (19)
Mn2—N2B	1.982 (2)	Cl2—O21B	1.4299 (19)
Mn2—O1WB	2.257 (2)	Cl2—O23B	1.4303 (19)
Mn2—O1SB	2.310 (2)	Cl2—O24	1.4339 (19)
O1A—Mn1—O2A	94.29 (9)	C2B—O3B—C3B	117.2 (2)
O1A—Mn1—N1A	90.63 (10)	C16B—O4B—C17B	117.4 (2)
O2A—Mn1—N1A	174.83 (10)	C1SB—O1SB—Mn2	126.0 (2)
O1A—Mn1—N2A	173.05 (10)	C1SB—O1SB—H1SB	109.5
O2A—Mn1—N2A	91.99 (10)	Mn2—O1SB—H1SB	118.8
N1A—Mn1—N2A	83.01 (11)	Mn2—O1WB—H1W3	105.4 (17)
O1A—Mn1—O1WA	94.57 (9)	Mn2—O1WB—H1W4	106.0 (17)
O2A—Mn1—O1WA	93.24 (9)	H1W3—O1WB—H1W4	103 (2)
N1A—Mn1—O1WA	87.93 (10)	C8B—N1B—C9B	121.3 (2)
N2A—Mn1—O1WA	88.02 (9)	C8B—N1B—Mn2	125.4 (2)
O1A—Mn1—O1SA	87.88 (9)	C9B—N1B—Mn2	113.24 (18)
O2A—Mn1—O1SA	87.11 (9)	C11B—N2B—C10B	121.7 (2)
N1A—Mn1—O1SA	91.51 (10)	C11B—N2B—Mn2	125.72 (19)
N2A—Mn1—O1SA	89.48 (9)	C10B—N2B—Mn2	112.54 (17)
O1WA—Mn1—O1SA	177.49 (8)	O1B—C1B—C7B	124.1 (3)
C1A—O1A—Mn1	127.7 (2)	O1B—C1B—C2B	117.2 (2)
C18A—O2A—Mn1	128.94 (19)	C7B—C1B—C2B	118.7 (2)
C2A—O3A—C3A	118.4 (3)	O3B—C2B—C4B	125.3 (2)
C16A—O4A—C17A	117.0 (3)	O3B—C2B—C1B	113.8 (2)
C1SA—O1SA—Mn1	117.75 (19)	C4B—C2B—C1B	120.9 (3)
C1SA—O1SA—H1SA	109.5	O3B—C3B—H3BA	109.5
Mn1—O1SA—H1SA	108.8	O3B—C3B—H3BB	109.5
Mn1—O1WA—H1W1	109.7 (17)	H3BA—C3B—H3BB	109.5
Mn1—O1WA—H1W2	110.4 (17)	O3B—C3B—H3BC	109.5
H1W1—O1WA—H1W2	108 (3)	H3BA—C3B—H3BC	109.5
C8A—N1A—C9A	121.3 (3)	H3BB—C3B—H3BC	109.5
C8A—N1A—Mn1	126.5 (2)	C2B—C4B—C5B	119.6 (3)
C9A—N1A—Mn1	112.1 (2)	C2B—C4B—H4BA	120.2
C11A—N2A—C10A	120.0 (3)	C5B—C4B—H4BA	120.2
C11A—N2A—Mn1	126.1 (2)	C6B—C5B—C4B	120.2 (3)
C10A—N2A—Mn1	113.9 (2)	C6B—C5B—H5BA	119.9
O1A—C1A—C2A	118.1 (3)	C4B—C5B—H5BA	119.9
O1A—C1A—C7A	124.1 (3)	C5B—C6B—C7B	121.1 (3)
C2A—C1A—C7A	117.7 (3)	C5B—C6B—H6BA	119.4
O3A—C2A—C4A	125.8 (3)	C7B—C6B—H6BA	119.4
O3A—C2A—C1A	113.3 (3)	C1B—C7B—C6B	119.5 (3)
C4A—C2A—C1A	120.9 (4)	C1B—C7B—C8B	122.3 (2)
O3A—C3A—H3AA	109.5	C6B—C7B—C8B	118.2 (3)
O3A—C3A—H3AB	109.5	N1B—C8B—C7B	125.5 (3)
H3AA—C3A—H3AB	109.5	N1B—C8B—H8BA	117.2
O3A—C3A—H3AC	109.5	C7B—C8B—H8BA	117.2
H3AA—C3A—H3AC	109.5	N1B—C9B—C10B	106.8 (2)
H3AB—C3A—H3AC	109.5	N1B—C9B—H9BA	110.4
C5A—C4A—C2A	120.2 (4)	C10B—C9B—H9BA	110.4
C5A—C4A—H4AA	119.9	N1B—C9B—H9BB	110.4
C2A—C4A—H4AA	119.9	C10B—C9B—H9BB	110.4
C6A—C5A—C4A	120.4 (4)	H9BA—C9B—H9BB	108.6
C6A—C5A—H5AA	119.8	N2B—C10B—C9B	107.6 (2)
C4A—C5A—H5AA	119.8	N2B—C10B—H10A	110.2
C5A—C6A—C7A	121.1 (4)	C9B—C10B—H10A	110.2
C5A—C6A—H6AA	119.5	N2B—C10B—H10B	110.2
C7A—C6A—H6AA	119.5	C9B—C10B—H10B	110.2
C6A—C7A—C1A	119.7 (3)	H10A—C10B—H10B	108.5
C6A—C7A—C8A	118.8 (3)	N2B—C11B—C12B	125.0 (2)
C1A—C7A—C8A	121.5 (3)	N2B—C11B—H11A	117.5
N1A—C8A—C7A	125.1 (3)	C12B—C11B—H11A	117.5
N1A—C8A—H8AA	117.5	C18B—C12B—C13B	119.4 (3)
C7A—C8A—H8AA	117.5	C18B—C12B—C11B	122.7 (2)
N1A—C9A—C10A	107.5 (3)	C13B—C12B—C11B	117.9 (3)
N1A—C9A—H9AA	110.2	C14B—C13B—C12B	120.9 (3)
C10A—C9A—H9AA	110.2	C14B—C13B—H13B	119.6
N1A—C9A—H9AB	110.2	C12B—C13B—H13B	119.6
C10A—C9A—H9AB	110.2	C13B—C14B—C15B	119.8 (3)
H9AA—C9A—H9AB	108.5	C13B—C14B—H14A	120.1
N2A—C10A—C9A	108.2 (3)	C15B—C14B—H14A	120.1
N2A—C10A—H10C	110.1	C16B—C15B—C14B	120.5 (3)
C9A—C10A—H10C	110.1	C16B—C15B—H15A	119.7
N2A—C10A—H10D	110.1	C14B—C15B—H15A	119.7
C9A—C10A—H10D	110.1	O4B—C16B—C15B	125.8 (3)
H10C—C10A—H10D	108.4	O4B—C16B—C18B	113.5 (2)
N2A—C11A—C12A	125.4 (3)	C15B—C16B—C18B	120.7 (3)
N2A—C11A—H11B	117.3	O4B—C17B—H17D	109.5
C12A—C11A—H11B	117.3	O4B—C17B—H17E	109.5
C18A—C12A—C13A	120.5 (3)	H17D—C17B—H17E	109.5
C18A—C12A—C11A	122.1 (3)	O4B—C17B—H17F	109.5
C13A—C12A—C11A	117.5 (3)	H17D—C17B—H17F	109.5
C14A—C13A—C12A	120.5 (3)	H17E—C17B—H17F	109.5
C14A—C13A—H13A	119.7	O2B—C18B—C12B	124.8 (2)
C12A—C13A—H13A	119.7	O2B—C18B—C16B	116.5 (2)
C13A—C14A—C15A	119.5 (3)	C12B—C18B—C16B	118.7 (2)
C13A—C14A—H14B	120.3	O1SB—C1SB—H2SA	109.5
C15A—C14A—H14B	120.3	O1SB—C1SB—H2SB	109.5
C16A—C15A—C14A	121.2 (3)	H2SA—C1SB—H2SB	109.5
C16A—C15A—H15B	119.4	O1SB—C1SB—H2SC	109.5
C14A—C15A—H15B	119.4	H2SA—C1SB—H2SC	109.5
O4A—C16A—C15A	125.9 (3)	H2SB—C1SB—H2SC	109.5
O4A—C16A—C18A	113.8 (3)	O12—Cl1—O13	110.55 (18)
C15A—C16A—C18A	120.3 (3)	O12—Cl1—O14	109.7 (2)
O4A—C17A—H17A	109.5	O13—Cl1—O14	109.61 (19)
O4A—C17A—H17B	109.5	O12—Cl1—O11	109.18 (17)
H17A—C17A—H17B	109.5	O13—Cl1—O11	109.59 (15)
O4A—C17A—H17C	109.5	O14—Cl1—O11	108.18 (18)
H17A—C17A—H17C	109.5	O23—Cl2—O22	109.67 (8)
H17B—C17A—H17C	109.5	O23—Cl2—O21	109.75 (8)
O2A—C18A—C12A	125.2 (3)	O22—Cl2—O21	109.70 (8)
O2A—C18A—C16A	116.7 (3)	O23—Cl2—O24B	77.5 (5)
C12A—C18A—C16A	118.1 (3)	O22—Cl2—O24B	124.7 (6)
O1SA—C1SA—H1SC	109.5	O21—Cl2—O24B	119.1 (6)
O1SA—C1SA—H1SD	109.5	O23—Cl2—O22B	123.6 (7)
H1SC—C1SA—H1SD	109.5	O22—Cl2—O22B	20.8 (5)
O1SA—C1SA—H1SE	109.5	O21—Cl2—O22B	113.3 (7)
H1SC—C1SA—H1SE	109.5	O24B—Cl2—O22B	109.56 (9)
H1SD—C1SA—H1SE	109.5	O23—Cl2—O21B	120.7 (6)
O2B—Mn2—O1B	93.56 (8)	O22—Cl2—O21B	111.6 (7)
O2B—Mn2—N1B	174.04 (10)	O21—Cl2—O21B	14.9 (5)
O1B—Mn2—N1B	91.80 (9)	O24B—Cl2—O21B	109.50 (9)
O2B—Mn2—N2B	91.90 (9)	O22B—Cl2—O21B	109.48 (9)
O1B—Mn2—N2B	174.52 (9)	O23—Cl2—O23B	32.0 (5)
N1B—Mn2—N2B	82.77 (10)	O22—Cl2—O23B	89.8 (6)
O2B—Mn2—O1WB	94.19 (9)	O21—Cl2—O23B	94.8 (5)
O1B—Mn2—O1WB	93.32 (10)	O24B—Cl2—O23B	109.46 (9)
N1B—Mn2—O1WB	88.08 (9)	O22B—Cl2—O23B	109.43 (9)
N2B—Mn2—O1WB	85.80 (9)	O21B—Cl2—O23B	109.38 (9)
O2B—Mn2—O1SB	88.56 (9)	O23—Cl2—O24	109.22 (8)
O1B—Mn2—O1SB	92.06 (10)	O22—Cl2—O24	109.25 (8)
N1B—Mn2—O1SB	88.66 (9)	O21—Cl2—O24	109.23 (8)
N2B—Mn2—O1SB	88.56 (10)	O24B—Cl2—O24	31.8 (5)
O1WB—Mn2—O1SB	173.80 (9)	O22B—Cl2—O24	89.2 (5)
C1B—O1B—Mn2	127.23 (18)	O21B—Cl2—O24	95.1 (5)
C18B—O2B—Mn2	127.95 (17)	O23B—Cl2—O24	141.0 (5)
O2A—Mn1—O1A—C1A	−155.3 (2)	O2B—Mn2—O1B—C1B	161.1 (3)
N1A—Mn1—O1A—C1A	23.1 (3)	N1B—Mn2—O1B—C1B	−21.5 (3)
N2A—Mn1—O1A—C1A	−0.7 (10)	N2B—Mn2—O1B—C1B	−13.8 (13)
O1WA—Mn1—O1A—C1A	111.1 (3)	O1WB—Mn2—O1B—C1B	66.7 (3)
O1SA—Mn1—O1A—C1A	−68.4 (3)	O1SB—Mn2—O1B—C1B	−110.2 (3)
O1A—Mn1—O2A—C18A	−177.5 (2)	O1B—Mn2—O2B—C18B	165.1 (2)
N1A—Mn1—O2A—C18A	20.3 (13)	N1B—Mn2—O2B—C18B	11.0 (11)
N2A—Mn1—O2A—C18A	5.5 (2)	N2B—Mn2—O2B—C18B	−15.4 (2)
O1WA—Mn1—O2A—C18A	−82.7 (2)	O1WB—Mn2—O2B—C18B	−101.3 (2)
O1SA—Mn1—O2A—C18A	94.8 (2)	O1SB—Mn2—O2B—C18B	73.1 (2)
O1A—Mn1—O1SA—C1SA	−38.3 (2)	O2B—Mn2—O1SB—C1SB	21.5 (2)
O2A—Mn1—O1SA—C1SA	56.1 (2)	O1B—Mn2—O1SB—C1SB	−72.0 (2)
N1A—Mn1—O1SA—C1SA	−128.9 (2)	N1B—Mn2—O1SB—C1SB	−163.8 (2)
N2A—Mn1—O1SA—C1SA	148.1 (2)	N2B—Mn2—O1SB—C1SB	113.4 (2)
O1WA—Mn1—O1SA—C1SA	154.0 (17)	O1WB—Mn2—O1SB—C1SB	137.9 (7)
O1A—Mn1—N1A—C8A	−16.9 (3)	O2B—Mn2—N1B—C8B	167.7 (9)
O2A—Mn1—N1A—C8A	145.3 (11)	O1B—Mn2—N1B—C8B	13.5 (3)
N2A—Mn1—N1A—C8A	160.3 (3)	N2B—Mn2—N1B—C8B	−165.7 (3)
O1WA—Mn1—N1A—C8A	−111.5 (3)	O1WB—Mn2—N1B—C8B	−79.7 (3)
O1SA—Mn1—N1A—C8A	71.0 (3)	O1SB—Mn2—N1B—C8B	105.5 (3)
O1A—Mn1—N1A—C9A	163.7 (2)	O2B—Mn2—N1B—C9B	−14.5 (11)
O2A—Mn1—N1A—C9A	−34.0 (13)	O1B—Mn2—N1B—C9B	−168.7 (2)
N2A—Mn1—N1A—C9A	−19.1 (2)	N2B—Mn2—N1B—C9B	12.1 (2)
O1WA—Mn1—N1A—C9A	69.2 (2)	O1WB—Mn2—N1B—C9B	98.1 (2)
O1SA—Mn1—N1A—C9A	−108.4 (2)	O1SB—Mn2—N1B—C9B	−76.7 (2)
O1A—Mn1—N2A—C11A	−160.9 (8)	O2B—Mn2—N2B—C11B	10.8 (3)
O2A—Mn1—N2A—C11A	−6.1 (3)	O1B—Mn2—N2B—C11B	−174.2 (10)
N1A—Mn1—N2A—C11A	175.2 (3)	N1B—Mn2—N2B—C11B	−166.5 (3)
O1WA—Mn1—N2A—C11A	87.0 (3)	O1WB—Mn2—N2B—C11B	104.9 (3)
O1SA—Mn1—N2A—C11A	−93.2 (3)	O1SB—Mn2—N2B—C11B	−77.7 (3)
O1A—Mn1—N2A—C10A	18.7 (10)	O2B—Mn2—N2B—C10B	−168.5 (2)
O2A—Mn1—N2A—C10A	173.5 (2)	O1B—Mn2—N2B—C10B	6.5 (12)
N1A—Mn1—N2A—C10A	−5.2 (2)	N1B—Mn2—N2B—C10B	14.2 (2)
O1WA—Mn1—N2A—C10A	−93.4 (2)	O1WB—Mn2—N2B—C10B	−74.4 (2)
O1SA—Mn1—N2A—C10A	86.4 (2)	O1SB—Mn2—N2B—C10B	103.0 (2)
Mn1—O1A—C1A—C2A	163.8 (2)	Mn2—O1B—C1B—C7B	20.1 (4)
Mn1—O1A—C1A—C7A	−17.6 (4)	Mn2—O1B—C1B—C2B	−162.7 (2)
C3A—O3A—C2A—C4A	−1.9 (6)	C3B—O3B—C2B—C4B	10.2 (4)
C3A—O3A—C2A—C1A	177.9 (3)	C3B—O3B—C2B—C1B	−170.3 (3)
O1A—C1A—C2A—O3A	−0.1 (4)	O1B—C1B—C2B—O3B	2.1 (4)
C7A—C1A—C2A—O3A	−178.8 (3)	C7B—C1B—C2B—O3B	179.5 (3)
O1A—C1A—C2A—C4A	179.7 (3)	O1B—C1B—C2B—C4B	−178.4 (3)
C7A—C1A—C2A—C4A	1.0 (5)	C7B—C1B—C2B—C4B	−1.0 (4)
O3A—C2A—C4A—C5A	179.0 (4)	O3B—C2B—C4B—C5B	179.9 (3)
C1A—C2A—C4A—C5A	−0.8 (6)	C1B—C2B—C4B—C5B	0.4 (5)
C2A—C4A—C5A—C6A	0.7 (7)	C2B—C4B—C5B—C6B	0.4 (5)
C4A—C5A—C6A—C7A	−0.8 (6)	C4B—C5B—C6B—C7B	−0.6 (5)
C5A—C6A—C7A—C1A	1.1 (6)	O1B—C1B—C7B—C6B	178.0 (3)
C5A—C6A—C7A—C8A	−176.1 (4)	C2B—C1B—C7B—C6B	0.8 (4)
O1A—C1A—C7A—C6A	−179.8 (3)	O1B—C1B—C7B—C8B	−3.6 (5)
C2A—C1A—C7A—C6A	−1.1 (5)	C2B—C1B—C7B—C8B	179.2 (3)
O1A—C1A—C7A—C8A	−2.6 (5)	C5B—C6B—C7B—C1B	−0.1 (5)
C2A—C1A—C7A—C8A	176.0 (3)	C5B—C6B—C7B—C8B	−178.5 (3)
C9A—N1A—C8A—C7A	−175.9 (3)	C9B—N1B—C8B—C7B	178.5 (3)
Mn1—N1A—C8A—C7A	4.8 (5)	Mn2—N1B—C8B—C7B	−3.9 (4)
C6A—C7A—C8A—N1A	−174.0 (3)	C1B—C7B—C8B—N1B	−4.4 (5)
C1A—C7A—C8A—N1A	8.8 (5)	C6B—C7B—C8B—N1B	174.0 (3)
C8A—N1A—C9A—C10A	−141.3 (3)	C8B—N1B—C9B—C10B	143.8 (3)
Mn1—N1A—C9A—C10A	38.1 (3)	Mn2—N1B—C9B—C10B	−34.1 (3)
C11A—N2A—C10A—C9A	−153.4 (3)	C11B—N2B—C10B—C9B	144.5 (3)
Mn1—N2A—C10A—C9A	26.9 (3)	Mn2—N2B—C10B—C9B	−36.1 (3)
N1A—C9A—C10A—N2A	−41.0 (4)	N1B—C9B—C10B—N2B	44.2 (3)
C10A—N2A—C11A—C12A	−175.2 (3)	C10B—N2B—C11B—C12B	175.6 (3)
Mn1—N2A—C11A—C12A	4.4 (5)	Mn2—N2B—C11B—C12B	−3.7 (4)
N2A—C11A—C12A—C18A	0.4 (5)	N2B—C11B—C12B—C18B	−3.9 (5)
N2A—C11A—C12A—C13A	179.8 (3)	N2B—C11B—C12B—C13B	177.7 (3)
C18A—C12A—C13A—C14A	2.1 (5)	C18B—C12B—C13B—C14B	1.4 (5)
C11A—C12A—C13A—C14A	−177.3 (3)	C11B—C12B—C13B—C14B	179.9 (3)
C12A—C13A—C14A—C15A	−1.3 (5)	C12B—C13B—C14B—C15B	0.1 (5)
C13A—C14A—C15A—C16A	0.4 (5)	C13B—C14B—C15B—C16B	−2.0 (5)
C17A—O4A—C16A—C15A	−8.9 (4)	C17B—O4B—C16B—C15B	0.5 (5)
C17A—O4A—C16A—C18A	171.6 (3)	C17B—O4B—C16B—C18B	−179.7 (3)
C14A—C15A—C16A—O4A	−179.8 (3)	C14B—C15B—C16B—O4B	−177.8 (3)
C14A—C15A—C16A—C18A	−0.4 (5)	C14B—C15B—C16B—C18B	2.4 (5)
Mn1—O2A—C18A—C12A	−2.9 (4)	Mn2—O2B—C18B—C12B	13.1 (4)
Mn1—O2A—C18A—C16A	178.4 (2)	Mn2—O2B—C18B—C16B	−168.1 (2)
C13A—C12A—C18A—O2A	179.2 (3)	C13B—C12B—C18B—O2B	177.8 (3)
C11A—C12A—C18A—O2A	−1.4 (5)	C11B—C12B—C18B—O2B	−0.7 (5)
C13A—C12A—C18A—C16A	−2.0 (4)	C13B—C12B—C18B—C16B	−1.0 (4)
C11A—C12A—C18A—C16A	177.4 (3)	C11B—C12B—C18B—C16B	−179.4 (3)
O4A—C16A—C18A—O2A	−0.5 (4)	O4B—C16B—C18B—O2B	0.5 (4)
C15A—C16A—C18A—O2A	−180.0 (3)	C15B—C16B—C18B—O2B	−179.7 (3)
O4A—C16A—C18A—C12A	−179.3 (3)	O4B—C16B—C18B—C12B	179.3 (3)
C15A—C16A—C18A—C12A	1.2 (4)	C15B—C16B—C18B—C12B	−0.9 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O1SA—H1SA···O11	0.84	1.97	2.788 (3)	165
O1WA—H1W1···O3B	0.80 (2)	2.15 (2)	2.830 (3)	142 (3)
O1WA—H1W1···O1B	0.80 (2)	2.27 (3)	2.964 (3)	145 (3)
O1WA—H1W2···O4B	0.81 (2)	2.19 (2)	2.944 (3)	155 (3)
O1WA—H1W2···O2B	0.81 (2)	2.26 (3)	2.886 (3)	135 (3)
O1SB—H1SB···O21	0.84	2.02	2.737 (4)	143
O1SB—H1SB···O21B	0.84	2.33	3.010 (13)	139
O1SB—H1SB···O23B	0.84	2.50	3.312 (13)	163
O1WB—H1W3···O4A	0.82 (2)	2.23 (2)	2.944 (3)	146 (3)
O1WB—H1W3···O2A	0.82 (2)	2.19 (3)	2.885 (3)	143 (3)
O1WB—H1W4···O1A	0.83 (2)	2.12 (3)	2.868 (3)	151 (3)
O1WB—H1W4···O3A	0.83 (2)	2.36 (2)	2.997 (4)	135 (3)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1SA—H1SA⋯O11	0.84	1.97	2.788 (3)	165
O1WA—H1W1⋯O3B	0.80 (2)	2.15 (2)	2.830 (3)	142 (3)
O1WA—H1W1⋯O1B	0.80 (2)	2.27 (3)	2.964 (3)	145 (3)
O1WA—H1W2⋯O4B	0.81 (2)	2.19 (2)	2.944 (3)	155 (3)
O1WA—H1W2⋯O2B	0.81 (2)	2.26 (3)	2.886 (3)	135 (3)
O1SB—H1SB⋯O21	0.84	2.02	2.737 (4)	143
O1SB—H1SB⋯O21B	0.84	2.33	3.010 (13)	139
O1SB—H1SB⋯O23B	0.84	2.50	3.312 (13)	163
O1WB—H1W3⋯O4A	0.82 (2)	2.23 (2)	2.944 (3)	146 (3)
O1WB—H1W3⋯O2A	0.82 (2)	2.19 (3)	2.885 (3)	143 (3)
O1WB—H1W4⋯O1A	0.83 (2)	2.12 (3)	2.868 (3)	151 (3)
O1WB—H1W4⋯O3A	0.83 (2)	2.36 (2)	2.997 (4)	135 (3)