Crystal structure of [NaZn(BTC)(H2O)4]·1.5H2O (BTC = benzene-1,3,5-tri-carb-oxy-l-ate): a heterometallic coordination compound.

The title coordination polymer, poly[[μ-aqua-tri-aqua-(μ3-benzene-1,3,5-tri-carboxyl-ato)sodiumzinc] sesquihydrate], {[NaZn(C9H3O6)(H2O)4]·1.5H2O} n , was obtained in ionic liquid microemulsion at room temperture by the reaction of benzene-1,3,5-tri-carb-oxy-lic acid (H3BTC) with Zn(NO3)2·6H2O in the presence of NaOH. The asymmetric unit comprises two Na(+) ions (each located on an inversion centre), one Zn(2+) ion, one BTC ligand, four coordinating water mol-ecules and two solvent water molecules, one of which is disordered about an inversion centre and shows half-occupation. The Zn(2+) cation is five-coordinated by two carboxyl-ate O atoms from two different BTC ligands and three coordinating H2O mol-ecules; the Zn-O bond lengths are in the range 1.975 (2)-2.058 (3) Å. The Na(+) cations are six-coordinated but have different arrangements of the ligands: one is bound to two carboxyl-ate O atoms of two BTC ligands and four O atoms from four coordinating H2O mol-ecules while the other is bound by four carboxyl-ate O atoms from four BTC linkers and two O atoms of coordinating H2O mol-ecules. The completely deprotonated BTC ligand acts as a bridging ligand binding the Zn(2+) atom and Na(+) ions, forming a layered structure extending parallel to (100). An intricate network of O-H⋯O hydrogen bonds is present within and between the layers.

Related literature

For general background to heterometallic coordination compounds, see: Stock & Biswas (2012 ▸); Gao et al. (2005 ▸); Zhou et al. (2012 ▸). For details of the synthesis, see: Shang et al. (2013 ▸); Fu et al. (2011 ▸). For the potential application of this compound, see: Huang et al. (2014 ▸).

Experimental

Crystal data

[NaZn(C9H3O6)(H2O)4]·1.5H2O

M = 394.56

Triclinic,

a = 7.0980 (11) Å

b = 9.8000 (16) Å

c = 11.2043 (17) Å

α = 66.923 (2)°

β = 73.598 (2)°

γ = 84.720 (3)°

V = 687.68 (19) Å3

Z = 2

Mo Kα radiation

μ = 1.88 mm−1

T = 296 K

0.05 × 0.03 × 0.02 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2009 ▸) T min = 0.912, T max = 0.963

7585 measured reflections

4331 independent reflections

2567 reflections with I > 2σ(I)

R int = 0.051

Refinement

R[F 2 > 2σ(F 2)] = 0.051

wR(F 2) = 0.113

S = 0.97

4331 reflections

214 parameters

H-atom parameters constrained

Δρmax = 0.79 e Å−3

Δρmin = −0.69 e Å−3

Data collection: APEX2 (Bruker, 2009 ▸); cell refinement: SAINT-Plus (Bruker, 2009 ▸); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS7 (Sheldrick, 2008 ▸); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2015 ▸); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▸); software used to prepare material for publication: OLEX2.

Crystal structure: contains datablock(s) I. DOI: 10.1107/S2056989015012001/zp2017sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989015012001/zp2017Isup2.hkl

Click here for additional data file.

Supporting information file. DOI: 10.1107/S2056989015012001/zp2017Isup3.docx

Click here for additional data file.

. DOI: 10.1107/S2056989015012001/zp2017fig1.tif

The mol­ecular structure of the title compound with the atom-numbering scheme and 30% probability ellipsoids.

Click here for additional data file.

b . DOI: 10.1107/S2056989015012001/zp2017fig2.tif

The packing diagram viewed along the b axis.

Click here for additional data file.

. DOI: 10.1107/S2056989015012001/zp2017fig3.tif

The FT–IR spectrum of the title compound.

Click here for additional data file.

. DOI: 10.1107/S2056989015012001/zp2017fig4.tif

The XRD pattern of the title compound.

CCDC reference: 1055450

Additional supporting information: crystallographic information; 3D view; checkCIF report

[NaZn(C9H3O6)(H2O)4]·1.5H2O	Z = 2
Mr = 394.56	F(000) = 402
Triclinic, P1	Dx = 1.906 Mg m−3
a = 7.0980 (11) Å	Mo Kα radiation, λ = 0.71073 Å
b = 9.8000 (16) Å	Cell parameters from 1047 reflections
c = 11.2043 (17) Å	θ = 2.4–22.5°
α = 66.923 (2)°	µ = 1.88 mm−1
β = 73.598 (2)°	T = 296 K
γ = 84.720 (3)°	Block, colourless
V = 687.68 (19) Å3	0.05 × 0.03 × 0.02 mm

Bruker APEXII CCD diffractometer	2567 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.051
φ and ω scans	θmax = 32.0°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2009)	h = −10→10
Tmin = 0.912, Tmax = 0.963	k = −14→14
7585 measured reflections	l = −16→16
4331 independent reflections

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)] = 0.051	Hydrogen site location: mixed
wR(F2) = 0.113	H-atom parameters constrained
S = 0.97	w = 1/[σ2(Fo2) + (0.0356P)2] where P = (Fo2 + 2Fc2)/3
4331 reflections	(Δ/σ)max = 0.001
214 parameters	Δρmax = 0.79 e Å−3
0 restraints	Δρmin = −0.69 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. olex2_refinement_description 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All O(H,H) groups 2. Others Fixed Sof: O11(0.5) H11A(0.5) H11B(0.5) 3.a Riding coordinates: O7(H7A,H7B), O8(H8A,H8B), O9(H9A,H9B), O10(H10A,H10B), O12(H12A,H12B) 3.b Free rotating group: O11(H11A,H11B) 3.c Aromatic/amide H refined with riding coordinates: C2(H2), C4(H4), C6(H6)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Zn1	0.69252 (6)	1.17043 (4)	0.17723 (4)	0.02302 (13)
Na1	0.5000	1.0000	0.0000	0.0322 (5)
Na2	0.5000	0.0000	0.5000	0.0319 (5)
C1	0.7424 (5)	0.7068 (3)	0.3327 (3)	0.0184 (7)
C2	0.7376 (5)	0.5950 (3)	0.2865 (3)	0.0186 (7)
H2	0.7312	0.6192	0.1988	0.022*
C3	0.7423 (5)	0.4476 (3)	0.3710 (3)	0.0188 (7)
C4	0.7512 (5)	0.4130 (4)	0.5013 (3)	0.0207 (7)
H4	0.7529	0.3140	0.5581	0.025*
C5	0.7576 (5)	0.5231 (4)	0.5492 (3)	0.0211 (7)
C6	0.7566 (5)	0.6703 (4)	0.4623 (3)	0.0204 (7)
H6	0.7657	0.7455	0.4917	0.024*
C7	0.7273 (5)	0.8667 (4)	0.2423 (3)	0.0204 (7)
C8	0.7345 (5)	0.3229 (4)	0.3272 (3)	0.0206 (7)
C9	0.7632 (5)	0.4837 (5)	0.6923 (4)	0.0291 (8)
O1	0.7044 (4)	0.9607 (3)	0.2967 (3)	0.0371 (7)
O2	0.7376 (4)	0.8999 (3)	0.1217 (3)	0.0341 (6)
O3	0.7335 (4)	0.1931 (3)	0.4071 (3)	0.0325 (6)
O4	0.7242 (4)	0.3558 (3)	0.2063 (2)	0.0268 (6)
O5	0.7596 (4)	0.3477 (4)	0.7661 (3)	0.0467 (8)
O6	0.7682 (4)	0.5863 (4)	0.7316 (3)	0.0479 (8)
O7	0.5762 (4)	1.2363 (3)	0.0195 (2)	0.0292 (6)
H7A	0.6483	1.2811	−0.0557	0.044*
H7B	0.4703	1.2778	0.0249	0.044*
O8	0.3875 (4)	1.1497 (3)	0.3061 (3)	0.0396 (7)
H8A	0.3040	1.0995	0.3031	0.059*
H8B	0.3305	1.2022	0.3464	0.059*
O9	0.9800 (4)	1.1943 (3)	0.0630 (3)	0.0382 (7)
H9A	1.0364	1.2580	0.0713	0.057*
H9B	1.0536	1.1721	0.0026	0.057*
O10	0.2322 (5)	0.9423 (4)	0.2021 (4)	0.0790 (13)
H10A	0.1808	0.8593	0.2402	0.119*
H10B	0.1445	1.0027	0.1899	0.119*
O11	0.0497 (9)	0.9938 (8)	0.4107 (6)	0.0482 (16)	0.5
H11A	−0.0558	1.0390	0.3993	0.072*	0.5
H11B	0.0429	0.9553	0.4942	0.072*	0.5
O12	0.7580 (4)	0.6003 (3)	0.9650 (2)	0.0294 (6)
H12A	0.7717	0.5773	0.9002	0.044*
H12B	0.7499	0.5234	1.0318	0.044*

	U11	U22	U33	U12	U13	U23
Zn1	0.0340 (2)	0.01306 (19)	0.0218 (2)	−0.00099 (15)	−0.00540 (16)	−0.00759 (16)
Na1	0.0424 (13)	0.0290 (11)	0.0309 (12)	0.0027 (9)	−0.0169 (10)	−0.0128 (10)
Na2	0.0457 (13)	0.0204 (10)	0.0228 (11)	−0.0072 (9)	−0.0013 (9)	−0.0048 (9)
C1	0.0191 (16)	0.0153 (15)	0.0210 (17)	−0.0019 (12)	−0.0009 (13)	−0.0096 (13)
C2	0.0267 (18)	0.0163 (16)	0.0141 (16)	−0.0003 (13)	−0.0044 (13)	−0.0078 (13)
C3	0.0211 (17)	0.0145 (15)	0.0205 (17)	−0.0018 (12)	−0.0023 (13)	−0.0081 (13)
C4	0.0239 (18)	0.0150 (16)	0.0184 (17)	0.0016 (13)	−0.0045 (13)	−0.0025 (13)
C5	0.0217 (17)	0.0228 (17)	0.0150 (17)	0.0005 (13)	−0.0033 (13)	−0.0045 (14)
C6	0.0259 (18)	0.0190 (16)	0.0194 (17)	0.0014 (13)	−0.0039 (13)	−0.0123 (14)
C7	0.0221 (17)	0.0146 (16)	0.0221 (18)	−0.0014 (13)	−0.0017 (14)	−0.0070 (14)
C8	0.0229 (17)	0.0170 (16)	0.0221 (18)	0.0007 (13)	−0.0047 (14)	−0.0089 (14)
C9	0.0241 (19)	0.044 (2)	0.0187 (19)	0.0110 (16)	−0.0063 (15)	−0.0131 (18)
O1	0.071 (2)	0.0100 (12)	0.0212 (14)	0.0004 (12)	0.0018 (13)	−0.0062 (11)
O2	0.0607 (19)	0.0187 (13)	0.0253 (15)	0.0030 (12)	−0.0202 (13)	−0.0053 (11)
O3	0.0481 (17)	0.0124 (12)	0.0351 (16)	0.0001 (11)	−0.0128 (12)	−0.0058 (11)
O4	0.0411 (15)	0.0191 (12)	0.0235 (14)	−0.0019 (10)	−0.0079 (11)	−0.0117 (11)
O5	0.0529 (19)	0.053 (2)	0.0203 (15)	0.0040 (15)	−0.0114 (13)	0.0006 (14)
O6	0.058 (2)	0.070 (2)	0.0325 (17)	0.0229 (17)	−0.0228 (14)	−0.0346 (17)
O7	0.0337 (15)	0.0261 (14)	0.0213 (14)	0.0047 (11)	−0.0037 (11)	−0.0057 (11)
O8	0.0298 (15)	0.065 (2)	0.0303 (16)	−0.0049 (13)	−0.0034 (12)	−0.0265 (15)
O9	0.0386 (17)	0.0369 (16)	0.0418 (18)	−0.0062 (12)	0.0029 (13)	−0.0260 (14)
O10	0.059 (2)	0.062 (3)	0.068 (3)	0.0028 (18)	−0.0052 (18)	0.016 (2)
O11	0.041 (4)	0.052 (4)	0.052 (4)	0.008 (3)	−0.018 (3)	−0.019 (4)
O12	0.0440 (16)	0.0224 (13)	0.0223 (14)	−0.0001 (11)	−0.0096 (11)	−0.0086 (11)

Zn1—Na1	3.6267 (5)	C3—C8	1.495 (4)
Zn1—Na2i	3.2603 (6)	C4—H4	0.9300
Zn1—O1	1.975 (2)	C4—C5	1.390 (5)
Zn1—O4i	2.009 (2)	C5—C6	1.390 (4)
Zn1—O7	2.013 (2)	C5—C9	1.506 (5)
Zn1—O8	2.214 (3)	C6—H6	0.9300
Zn1—O9	2.058 (3)	C7—O1	1.267 (4)
Na1—Zn1ii	3.6267 (5)	C7—O2	1.242 (4)
Na1—O2	2.369 (3)	C8—O3	1.235 (4)
Na1—O2ii	2.369 (3)	C8—O4	1.286 (4)
Na1—O7	2.529 (3)	C9—O5	1.262 (5)
Na1—O7ii	2.529 (3)	C9—O6	1.252 (5)
Na1—O10	2.413 (3)	O1—Na2i	2.482 (2)
Na1—O10ii	2.413 (3)	O4—Zn1iv	2.009 (2)
Na2—Zn1iii	3.2603 (6)	O7—H7A	0.8201
Na2—Zn1iv	3.2603 (6)	O7—H7B	0.8201
Na2—O1iv	2.482 (2)	O8—Na2i	2.403 (3)
Na2—O1iii	2.482 (2)	O8—H8A	0.8200
Na2—O3	2.339 (3)	O8—H8B	0.8201
Na2—O3v	2.339 (3)	O9—H9A	0.8199
Na2—O8iii	2.403 (3)	O9—H9B	0.8200
Na2—O8iv	2.403 (3)	O10—H10A	0.8200
C1—C2	1.389 (4)	O10—H10B	0.8200
C1—C6	1.384 (4)	O11—H11A	0.8500
C1—C7	1.509 (4)	O11—H11B	0.8500
C2—H2	0.9300	O12—H12A	0.8203
C2—C3	1.386 (4)	O12—H12B	0.8200
C3—C4	1.382 (4)
Na2i—Zn1—Na1	108.751 (15)	O3v—Na2—O8iii	81.75 (9)
O1—Zn1—Na1	81.47 (8)	O3—Na2—O8iii	98.25 (9)
O1—Zn1—Na2i	49.45 (7)	O3—Na2—O8iv	81.75 (9)
O1—Zn1—O4i	129.50 (11)	O8iii—Na2—Zn1iv	137.24 (6)
O1—Zn1—O7	123.49 (11)	O8iv—Na2—Zn1iii	137.24 (6)
O1—Zn1—O8	83.14 (11)	O8iii—Na2—Zn1iii	42.76 (6)
O1—Zn1—O9	97.22 (11)	O8iv—Na2—Zn1iv	42.76 (6)
O4i—Zn1—Na1	147.26 (7)	O8iii—Na2—O1iii	69.50 (9)
O4i—Zn1—Na2i	89.66 (7)	O8iii—Na2—O1iv	110.50 (9)
O4i—Zn1—O7	105.44 (10)	O8iv—Na2—O1iv	69.50 (9)
O4i—Zn1—O8	88.15 (11)	O8iv—Na2—O1iii	110.50 (9)
O4i—Zn1—O9	89.49 (10)	O8iii—Na2—O8iv	180.0
O7—Zn1—Na1	42.24 (7)	C2—C1—C7	119.8 (3)
O7—Zn1—Na2i	131.91 (7)	C6—C1—C2	119.7 (3)
O7—Zn1—O8	86.91 (10)	C6—C1—C7	120.6 (3)
O7—Zn1—O9	95.17 (11)	C1—C2—H2	119.9
O8—Zn1—Na1	85.30 (7)	C3—C2—C1	120.1 (3)
O8—Zn1—Na2i	47.48 (7)	C3—C2—H2	119.9
O9—Zn1—Na1	97.50 (8)	C2—C3—C8	122.3 (3)
O9—Zn1—Na2i	131.02 (8)	C4—C3—C2	119.4 (3)
O9—Zn1—O8	177.20 (11)	C4—C3—C8	118.2 (3)
Zn1—Na1—Zn1ii	180.0	C3—C4—H4	119.3
O2—Na1—Zn1	53.49 (6)	C3—C4—C5	121.4 (3)
O2ii—Na1—Zn1ii	53.49 (6)	C5—C4—H4	119.3
O2ii—Na1—Zn1	126.51 (6)	C4—C5—C9	120.8 (3)
O2—Na1—Zn1ii	126.51 (6)	C6—C5—C4	118.3 (3)
O2ii—Na1—O2	180.0	C6—C5—C9	120.8 (3)
O2ii—Na1—O7ii	83.14 (8)	C1—C6—C5	121.0 (3)
O2—Na1—O7	83.14 (8)	C1—C6—H6	119.5
O2ii—Na1—O7	96.86 (8)	C5—C6—H6	119.5
O2—Na1—O7ii	96.86 (8)	O1—C7—C1	116.3 (3)
O2—Na1—O10ii	86.91 (11)	O2—C7—C1	120.1 (3)
O2ii—Na1—O10ii	93.09 (11)	O2—C7—O1	123.6 (3)
O2ii—Na1—O10	86.91 (11)	O3—C8—C3	120.1 (3)
O2—Na1—O10	93.09 (11)	O3—C8—O4	122.0 (3)
O7ii—Na1—Zn1	147.65 (5)	O4—C8—C3	117.9 (3)
O7—Na1—Zn1	32.36 (5)	O5—C9—C5	117.2 (4)
O7ii—Na1—Zn1ii	32.35 (5)	O6—C9—C5	118.8 (4)
O7—Na1—Zn1ii	147.64 (5)	O6—C9—O5	124.0 (4)
O7ii—Na1—O7	180.0	Zn1—O1—Na2i	93.35 (9)
O10ii—Na1—Zn1	99.48 (11)	C7—O1—Zn1	116.3 (2)
O10—Na1—Zn1ii	99.48 (11)	C7—O1—Na2i	140.1 (2)
O10—Na1—Zn1	80.52 (11)	C7—O2—Na1	130.6 (2)
O10ii—Na1—Zn1ii	80.52 (11)	C8—O3—Na2	132.2 (2)
O10—Na1—O7ii	89.62 (12)	C8—O4—Zn1iv	110.2 (2)
O10—Na1—O7	90.38 (12)	Zn1—O7—Na1	105.40 (10)
O10ii—Na1—O7ii	90.38 (12)	Zn1—O7—H7A	117.9
O10ii—Na1—O7	89.62 (12)	Zn1—O7—H7B	118.8
O10ii—Na1—O10	180.0	Na1—O7—H7A	101.6
Zn1iii—Na2—Zn1iv	180.0	Na1—O7—H7B	102.9
O1iii—Na2—Zn1iv	142.80 (5)	H7A—O7—H7B	107.7
O1iv—Na2—Zn1iv	37.20 (5)	Zn1—O8—Na2i	89.76 (9)
O1iv—Na2—Zn1iii	142.80 (5)	Zn1—O8—H8A	121.4
O1iii—Na2—Zn1iii	37.20 (5)	Zn1—O8—H8B	129.0
O1iv—Na2—O1iii	180.0	Na2i—O8—H8A	106.3
O3v—Na2—Zn1iv	123.65 (7)	Na2i—O8—H8B	89.2
O3—Na2—Zn1iv	56.35 (7)	H8A—O8—H8B	107.7
O3v—Na2—Zn1iii	56.35 (7)	Zn1—O9—H9A	109.9
O3—Na2—Zn1iii	123.65 (7)	Zn1—O9—H9B	141.4
O3—Na2—O1iii	102.11 (9)	H9A—O9—H9B	107.7
O3—Na2—O1iv	77.89 (9)	Na1—O10—H10A	120.4
O3v—Na2—O1iii	77.89 (9)	Na1—O10—H10B	110.7
O3v—Na2—O1iv	102.11 (9)	H10A—O10—H10B	107.7
O3—Na2—O3v	180.0	H11A—O11—H11B	109.5
O3v—Na2—O8iv	98.25 (9)	H12A—O12—H12B	107.7
C1—C2—C3—C4	0.2 (5)	C4—C5—C6—C1	2.3 (5)
C1—C2—C3—C8	179.1 (3)	C4—C5—C9—O5	−0.8 (5)
C1—C7—O1—Zn1	178.2 (2)	C4—C5—C9—O6	−179.8 (3)
C1—C7—O1—Na2i	−48.0 (5)	C6—C1—C2—C3	1.5 (5)
C1—C7—O2—Na1	114.6 (3)	C6—C1—C7—O1	−8.3 (5)
C2—C1—C6—C5	−2.8 (5)	C6—C1—C7—O2	171.6 (3)
C2—C1—C7—O1	170.3 (3)	C6—C5—C9—O5	178.5 (3)
C2—C1—C7—O2	−9.9 (5)	C6—C5—C9—O6	−0.4 (5)
C2—C3—C4—C5	−0.7 (5)	C7—C1—C2—C3	−177.0 (3)
C2—C3—C8—O3	−178.0 (3)	C7—C1—C6—C5	175.7 (3)
C2—C3—C8—O4	0.4 (5)	C8—C3—C4—C5	−179.6 (3)
C3—C4—C5—C6	−0.6 (5)	C9—C5—C6—C1	−177.1 (3)
C3—C4—C5—C9	178.8 (3)	O1—C7—O2—Na1	−65.6 (4)
C3—C8—O3—Na2	116.2 (3)	O2—C7—O1—Zn1	−1.6 (5)
C3—C8—O4—Zn1iv	−175.2 (2)	O2—C7—O1—Na2i	132.1 (3)
C4—C3—C8—O3	0.9 (5)	O3—C8—O4—Zn1iv	3.1 (4)
C4—C3—C8—O4	179.3 (3)	O4—C8—O3—Na2	−62.1 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O5vi	0.82	1.79	2.587 (4)	162
O7—H7B···O12vii	0.82	1.93	2.740 (4)	172
O8—H8A···O10	0.82	2.40	3.114 (5)	146
O8—H8A···O11	0.82	1.98	2.672 (8)	142
O8—H8B···O6vii	0.82	2.05	2.641 (5)	128
O9—H9A···O12viii	0.82	1.95	2.734 (4)	159
O9—H9B···O2ix	0.82	2.01	2.823 (4)	170
O10—H10A···O5iii	0.82	2.06	2.719 (6)	137
O10—H10B···O9x	0.82	2.31	3.079 (5)	155
O11—H11A···O3xi	0.85	2.03	2.835 (8)	157
O11—H11B···O3iii	0.85	2.27	2.866 (7)	127
O11—H11B···O11xii	0.85	1.33	1.973 (9)	128
O12—H12A···O6	0.82	1.86	2.652 (4)	161
O12—H12B···O4xiii	0.82	1.97	2.787 (3)	172

Table 1

Hydrogen-bond geometry (, )

DHA	DH	HA	D A	DHA
O7H7AO5i	0.82	1.79	2.587(4)	162
O7H7BO12ii	0.82	1.93	2.740(4)	172
O8H8AO10	0.82	2.40	3.114(5)	146
O8H8AO11	0.82	1.98	2.672(8)	142
O8H8BO6ii	0.82	2.05	2.641(5)	128
O9H9AO12iii	0.82	1.95	2.734(4)	159
O9H9BO2iv	0.82	2.01	2.823(4)	170
O10H10AO5v	0.82	2.06	2.719(6)	137
O10H10BO9vi	0.82	2.31	3.079(5)	155
O11H11AO3vii	0.85	2.03	2.835(8)	157
O11H11BO3v	0.85	2.27	2.866(7)	127
O11H11BO11viii	0.85	1.33	1.973(9)	128
O12H12AO6	0.82	1.86	2.652(4)	161
O12H12BO4ix	0.82	1.97	2.787(3)	172

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) ; (ix) .