# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_sample5-f
_database_code_depnum_ccdc_archive 'CCDC 1030073'
_audit_update_record             
;
2014-10-19 deposited with the CCDC.
2015-03-04 downloaded from the CCDC.
;
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'P 41 3 2'
_symmetry_Int_Tables_number      213
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 -x,1/2+y,1/2-z
4 1/2+x,1/2-y,-z
5 z,x,y
6 1/2+z,1/2-x,-y
7 1/2-z,-x,1/2+y
8 -z,1/2+x,1/2-y
9 y,z,x
10 -y,1/2+z,1/2-x
11 1/2+y,1/2-z,-x
12 1/2-y,-z,1/2+x
13 3/4+y,1/4+x,1/4-z
14 3/4-y,3/4-x,3/4-z
15 1/4+y,1/4-x,3/4+z
16 1/4-y,3/4+x,1/4+z
17 3/4+x,1/4+z,1/4-y
18 1/4-x,3/4+z,1/4+y
19 3/4-x,3/4-z,3/4-y
20 1/4+x,1/4-z,3/4+y
21 3/4+z,1/4+y,1/4-x
22 1/4+z,1/4-y,3/4+x
23 1/4-z,3/4+y,1/4+x
24 3/4-z,3/4-y,3/4-x
_cell_length_a                   33.261(4)
_cell_length_b                   33.261(4)
_cell_length_c                   33.261(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     36796.4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn1 Zn 0.3750 0.6250 1.1250
Zn2 Zn 0.43692(3) 0.56308(3) 1.06308(3)
O1 O 0.37364(16) 0.62649(17) 1.06079(16)
O2 O 0.3944(2) 0.5744(2) 1.0263(2)
O3 O 0.47224(16) 0.52776(16) 1.02776(16)
C3 C 0.3184(2) 0.6514(2) 1.00701(18)
H3B H 0.3221 0.6679 1.0293
C2 C 0.34127(18) 0.6167(2) 1.0028(2)
C7 C 0.3358(2) 0.59201(19) 0.9695(3)
H7A H 0.3511 0.5688 0.9667
C6 C 0.3075(2) 0.6021(3) 0.9404(2)
C5 C 0.2847(2) 0.6368(3) 0.9446(2)
H5A H 0.2658 0.6436 0.9252
C4 C 0.2902(2) 0.6615(2) 0.9779(3)
C1 C 0.3737(3) 0.6022(4) 1.0317(4)
C8 C 0.2634(4) 0.6926(4) 0.9837(3)
C9 C 0.2401(3) 0.7197(4) 0.9858(4)
C15 C 0.1756(8) 0.7531(6) 0.9689(4)
H15A H 0.1726 0.7378 0.9457
C14 C 0.1491(4) 0.7844(8) 0.9769(7)
C13 C 0.1536(6) 0.8072(3) 1.0117(9)
H13A H 0.1359 0.8282 1.0170
C12 C 0.1846(8) 0.7987(7) 1.0384(4)
H12A H 0.1876 0.8140 1.0616
C11 C 0.2111(4) 0.7674(8) 1.0304(7)
H11A H 0.2318 0.7617 1.0483
C10 C 0.2066(5) 0.7446(4) 0.9957(9)
C17 C 0.2996(6) 0.5533(5) 0.8778(5)
C16 C 0.3031(5) 0.5761(5) 0.9048(4)
O1 O -0.06079(16) 0.87364(16) 0.87351(17)
O2 O -0.0263(2) 0.8944(2) 0.9256(2)
C3 C -0.00701(18) 0.8184(2) 0.8486(2)
H3B H -0.0293 0.8221 0.8321
C2 C -0.0028(2) 0.84127(18) 0.8833(2)
C7 C 0.0305(3) 0.8358(2) 0.90799(19)
H7A H 0.0333 0.8511 0.9312
C6 C 0.0596(2) 0.8075(2) 0.8979(3)
C5 C 0.0554(2) 0.7847(2) 0.8632(3)
H5A H 0.0748 0.7658 0.8564
C4 C 0.0221(3) 0.7902(2) 0.8385(2)
C1 C -0.0317(4) 0.8737(3) 0.8978(4)
C8 C 0.0163(3) 0.7634(4) 0.8074(4)
C9 C 0.0142(4) 0.7401(3) 0.7803(4)
C15 C 0.0311(4) 0.6756(8) 0.7469(6)
H15A H 0.0543 0.6726 0.7622
C14 C 0.0231(7) 0.6491(4) 0.7156(8)
C13 C -0.0117(9) 0.6536(6) 0.6928(3)
H13A H -0.0170 0.6359 0.6718
C12 C -0.0384(4) 0.6846(8) 0.7013(7)
H12A H -0.0616 0.6876 0.6860
C11 C -0.0304(7) 0.7111(4) 0.7326(8)
H11A H -0.0483 0.7318 0.7383
C10 C 0.0043(9) 0.7066(5) 0.7554(4)
C17 C 0.1222(5) 0.7996(6) 0.9467(5)
C16 C 0.0952(4) 0.8031(5) 0.9239(5)
O1 O 0.12649(17) 0.43921(16) 0.62636(16)
O2 O 0.0744(2) 0.4737(2) 0.6056(2)
C3 C 0.1514(2) 0.49299(18) 0.6816(2)
H3B H 0.1679 0.4707 0.6779
C2 C 0.1167(2) 0.4972(2) 0.65873(18)
C7 C 0.09201(19) 0.5305(3) 0.6642(2)
H7A H 0.0688 0.5333 0.6489
C6 C 0.1021(3) 0.5596(2) 0.6925(2)
C5 C 0.1368(3) 0.5554(2) 0.7153(2)
H5A H 0.1436 0.5748 0.7342
C4 C 0.1615(2) 0.5221(3) 0.7098(2)
C1 C 0.1022(4) 0.4683(4) 0.6263(3)
C8 C 0.1926(4) 0.5163(3) 0.7366(4)
C9 C 0.2197(4) 0.5142(4) 0.7599(3)
C15 C 0.2531(6) 0.5311(4) 0.8244(8)
H15A H 0.2378 0.5543 0.8274
C14 C 0.2844(8) 0.5231(7) 0.8509(4)
C13 C 0.3072(3) 0.4883(9) 0.8464(6)
H13A H 0.3282 0.4830 0.8641
C12 C 0.2987(7) 0.4616(4) 0.8154(8)
H12A H 0.3140 0.4384 0.8124
C11 C 0.2674(8) 0.4696(7) 0.7889(4)
H11A H 0.2617 0.4517 0.7682
C10 C 0.2446(4) 0.5043(9) 0.7934(5)
C17 C 0.0533(5) 0.6222(5) 0.7004(6)
C16 C 0.0761(5) 0.5952(4) 0.6969(5)
Zn2 Zn 0.31308(3) 0.68692(3) 1.18692(3)
O3 O 0.27776(16) 0.72224(16) 1.22224(16)
O1 O 0.31079(16) 0.62351(17) 1.12364(16)
O2 O 0.2763(2) 0.6756(2) 1.1444(2)
C3 C 0.25701(18) 0.5986(2) 1.0684(2)
H3B H 0.2793 0.5821 1.0721
C2 C 0.2528(2) 0.6333(2) 1.09127(18)
C7 C 0.2195(3) 0.65799(19) 1.0858(2)
H7A H 0.2167 0.6812 1.1011
C6 C 0.1904(2) 0.6479(3) 1.0575(2)
C5 C 0.1946(2) 0.6132(3) 1.0347(2)
H5A H 0.1752 0.6064 1.0158
C4 C 0.2279(3) 0.5885(2) 1.0402(2)
C1 C 0.2817(4) 0.6478(4) 1.1237(3)
C8 C 0.2337(3) 0.5574(4) 1.0134(4)
C9 C 0.2358(4) 0.5303(4) 0.9901(3)
C15 C 0.2189(4) 0.4969(6) 0.9256(8)
H15A H 0.1957 0.5122 0.9226
C14 C 0.2269(7) 0.4656(8) 0.8991(4)
C13 C 0.2617(9) 0.4428(3) 0.9036(6)
H13A H 0.2670 0.4218 0.8859
C12 C 0.2884(4) 0.4513(7) 0.9346(8)
H12A H 0.3116 0.4360 0.9376
C11 C 0.2804(7) 0.4826(8) 0.9611(4)
H11A H 0.2983 0.4883 0.9818
C10 C 0.2457(9) 0.5054(4) 0.9566(5)
C17 C 0.1278(5) 0.6967(5) 1.0496(6)
C16 C 0.1548(4) 0.6739(5) 1.0531(5)
O1 O 0.12351(17) 0.37636(16) 0.68921(16)
O2 O 0.1756(2) 0.3556(2) 0.7237(2)
C3 C 0.0986(2) 0.4316(2) 0.74299(18)
H3B H 0.0821 0.4279 0.7207
C2 C 0.1333(2) 0.40873(18) 0.7472(2)
C7 C 0.15799(19) 0.4142(2) 0.7805(3)
H7A H 0.1812 0.3989 0.7833
C6 C 0.1479(3) 0.4425(2) 0.8096(2)
C5 C 0.1132(3) 0.4653(2) 0.8054(2)
H5A H 0.1064 0.4842 0.8248
C4 C 0.0885(2) 0.4598(2) 0.7721(3)
C1 C 0.1478(4) 0.3763(3) 0.7183(4)
C8 C 0.0574(4) 0.4866(4) 0.7663(3)
C9 C 0.0303(4) 0.5099(3) 0.7642(4)
C15 C -0.0031(6) 0.5744(8) 0.7811(4)
H15A H 0.0122 0.5774 0.8043
C14 C -0.0344(8) 0.6009(4) 0.7731(7)
C13 C -0.0572(3) 0.5964(6) 0.7383(9)
H13A H -0.0782 0.6141 0.7330
C12 C -0.0487(7) 0.5654(8) 0.7116(4)
H12A H -0.0640 0.5624 0.6884
C11 C -0.0174(8) 0.5389(4) 0.7196(7)
H11A H -0.0117 0.5182 0.7017
C10 C 0.0054(4) 0.5434(5) 0.7543(9)
C17 C 0.1967(5) 0.4504(6) 0.8722(5)
C16 C 0.1739(5) 0.4469(5) 0.8452(4)
O1 O -0.12364(16) 0.81079(16) 0.87649(17)
O2 O -0.1444(2) 0.7763(2) 0.8244(2)
C3 C -0.0684(2) 0.75701(18) 0.9014(2)
H3B H -0.0721 0.7793 0.9179
C2 C -0.09127(18) 0.7528(2) 0.8667(2)
C7 C -0.0858(2) 0.7195(3) 0.84201(19)
H7A H -0.1011 0.7167 0.8188
C6 C -0.0575(2) 0.6904(2) 0.8521(3)
C5 C -0.0347(2) 0.6946(2) 0.8868(3)
H5A H -0.0158 0.6752 0.8936
C4 C -0.0402(2) 0.7279(3) 0.9115(2)
C1 C -0.1237(3) 0.7817(4) 0.8522(4)
C8 C -0.0134(4) 0.7337(3) 0.9426(4)
C9 C 0.0099(3) 0.7358(4) 0.9697(4)
C15 C 0.0744(8) 0.7189(4) 1.0031(6)
H15A H 0.0774 0.6957 0.9878
C14 C 0.1009(4) 0.7269(7) 1.0344(8)
C13 C 0.0964(6) 0.7617(9) 1.0572(3)
H13A H 0.1141 0.7670 1.0782
C12 C 0.0654(8) 0.7884(4) 1.0487(7)
H12A H 0.0624 0.8116 1.0640
C11 C 0.0389(4) 0.7804(7) 1.0174(8)
H11A H 0.0182 0.7983 1.0117
C10 C 0.0434(5) 0.7457(9) 0.9946(4)
C17 C -0.0496(6) 0.6278(5) 0.8033(5)
C16 C -0.0531(5) 0.6548(4) 0.8261(5)
Zn1 Zn 0.1250 0.3750 0.6250
Zn1 Zn -0.1250 0.8750 0.8750
Zn2 Zn 0.06308(3) 0.43692(3) 0.56308(3)
Zn2 Zn -0.06308(3) 0.93692(3) 0.93692(3)
Zn2 Zn 0.18692(3) 0.31308(3) 0.68692(3)
Zn2 Zn -0.18692(3) 0.81308(3) 0.81308(3)
O1 O 0.43921(16) 0.62636(16) 1.12649(17)
O1 O 0.37351(17) 0.56079(16) 1.12636(16)
O1 O 0.37649(17) 0.62364(16) 1.18921(16)
O1 O 0.37636(16) 0.68921(16) 1.12351(17)
O2 O 0.4737(2) 0.6056(2) 1.0744(2)
O2 O 0.4256(2) 0.5263(2) 1.1056(2)
O2 O 0.3244(2) 0.6444(2) 1.2237(2)
O2 O 0.3556(2) 0.7237(2) 1.1756(2)
O1 O 0.12636(16) 0.37351(17) 0.56079(16)
O2 O 0.1056(2) 0.4256(2) 0.5263(2)
O3 O 0.02776(16) 0.47224(16) 0.52776(16)
C3 C 0.1816(2) 0.3486(2) 0.50701(18)
H3B H 0.1779 0.3321 0.5293
C2 C 0.15873(18) 0.3833(2) 0.5028(2)
C7 C 0.1642(2) 0.40799(19) 0.4695(3)
H7A H 0.1489 0.4312 0.4667
C6 C 0.1925(2) 0.3979(3) 0.4404(2)
C5 C 0.2153(2) 0.3632(3) 0.4446(2)
H5A H 0.2342 0.3564 0.4252
C4 C 0.2098(2) 0.3385(2) 0.4779(3)
C1 C 0.1263(3) 0.3978(4) 0.5317(4)
C8 C 0.2366(4) 0.3074(4) 0.4837(3)
C9 C 0.2599(3) 0.2803(4) 0.4858(4)
C15 C 0.3244(8) 0.2469(6) 0.4689(4)
H15A H 0.3274 0.2622 0.4457
C14 C 0.3509(4) 0.2156(8) 0.4769(7)
C13 C 0.3464(6) 0.1928(3) 0.5117(9)
H13A H 0.3641 0.1718 0.5170
C12 C 0.3154(8) 0.2013(7) 0.5384(4)
H12A H 0.3124 0.1860 0.5616
C11 C 0.2889(4) 0.2326(8) 0.5304(7)
H11A H 0.2682 0.2383 0.5483
C10 C 0.2934(5) 0.2554(4) 0.4957(9)
C17 C 0.2004(6) 0.4467(5) 0.3778(5)
C16 C 0.1969(5) 0.4239(5) 0.4048(4)
O1 O 0.56079(16) 0.12636(16) 0.37351(17)
O2 O 0.5263(2) 0.1056(2) 0.4256(2)
C3 C 0.50701(18) 0.1816(2) 0.3486(2)
H3B H 0.5293 0.1779 0.3321
C2 C 0.5028(2) 0.15873(18) 0.3833(2)
C7 C 0.4695(3) 0.1642(2) 0.40799(19)
H7A H 0.4667 0.1489 0.4312
C6 C 0.4404(2) 0.1925(2) 0.3979(3)
C5 C 0.4446(2) 0.2153(2) 0.3632(3)
H5A H 0.4252 0.2342 0.3564
C4 C 0.4779(3) 0.2098(2) 0.3385(2)
C1 C 0.5317(4) 0.1263(3) 0.3978(4)
C8 C 0.4837(3) 0.2366(4) 0.3074(4)
C9 C 0.4858(4) 0.2599(3) 0.2803(4)
C15 C 0.4689(4) 0.3244(8) 0.2469(6)
H15A H 0.4457 0.3274 0.2622
C14 C 0.4769(7) 0.3509(4) 0.2156(8)
C13 C 0.5117(9) 0.3464(6) 0.1928(3)
H13A H 0.5170 0.3641 0.1718
C12 C 0.5384(4) 0.3154(8) 0.2013(7)
H12A H 0.5616 0.3124 0.1860
C11 C 0.5304(7) 0.2889(4) 0.2326(8)
H11A H 0.5483 0.2682 0.2383
C10 C 0.4957(9) 0.2934(5) 0.2554(4)
C17 C 0.3778(5) 0.2004(6) 0.4467(5)
C16 C 0.4048(4) 0.1969(5) 0.4239(5)
O1 O 0.37351(17) 0.56079(16) 0.12636(16)
O2 O 0.4256(2) 0.5263(2) 0.1056(2)
C3 C 0.3486(2) 0.50701(18) 0.1816(2)
H3B H 0.3321 0.5293 0.1779
C2 C 0.3833(2) 0.5028(2) 0.15873(18)
C7 C 0.40799(19) 0.4695(3) 0.1642(2)
H7A H 0.4312 0.4667 0.1489
C6 C 0.3979(3) 0.4404(2) 0.1925(2)
C5 C 0.3632(3) 0.4446(2) 0.2153(2)
H5A H 0.3564 0.4252 0.2342
C4 C 0.3385(2) 0.4779(3) 0.2098(2)
C1 C 0.3978(4) 0.5317(4) 0.1263(3)
C8 C 0.3074(4) 0.4837(3) 0.2366(4)
C9 C 0.2803(4) 0.4858(4) 0.2599(3)
C15 C 0.2469(6) 0.4689(4) 0.3244(8)
H15A H 0.2622 0.4457 0.3274
C14 C 0.2156(8) 0.4769(7) 0.3509(4)
C13 C 0.1928(3) 0.5117(9) 0.3464(6)
H13A H 0.1718 0.5170 0.3641
C12 C 0.2013(7) 0.5384(4) 0.3154(8)
H12A H 0.1860 0.5616 0.3124
C11 C 0.2326(8) 0.5304(7) 0.2889(4)
H11A H 0.2383 0.5483 0.2682
C10 C 0.2554(4) 0.4957(9) 0.2934(5)
C17 C 0.4467(5) 0.3778(5) 0.2004(6)
C16 C 0.4239(5) 0.4048(4) 0.1969(5)
O3 O 0.22224(16) 0.27776(16) 0.72224(16)
O1 O 0.18921(16) 0.37649(17) 0.62364(16)
O2 O 0.2237(2) 0.3244(2) 0.6444(2)
C3 C 0.24299(18) 0.4014(2) 0.5684(2)
H3B H 0.2207 0.4179 0.5721
C2 C 0.2472(2) 0.3667(2) 0.59127(18)
C7 C 0.2805(3) 0.34201(19) 0.5858(2)
H7A H 0.2833 0.3188 0.6011
C6 C 0.3096(2) 0.3521(3) 0.5575(2)
C5 C 0.3054(2) 0.3868(3) 0.5347(2)
H5A H 0.3248 0.3936 0.5158
C4 C 0.2721(3) 0.4115(2) 0.5402(2)
C1 C 0.2183(4) 0.3522(4) 0.6237(3)
C8 C 0.2663(3) 0.4426(4) 0.5134(4)
C9 C 0.2642(4) 0.4697(4) 0.4901(3)
C15 C 0.2811(4) 0.5031(6) 0.4256(8)
H15A H 0.3043 0.4878 0.4226
C14 C 0.2731(7) 0.5344(8) 0.3991(4)
C13 C 0.2383(9) 0.5572(3) 0.4036(6)
H13A H 0.2330 0.5782 0.3859
C12 C 0.2116(4) 0.5487(7) 0.4346(8)
H12A H 0.1884 0.5640 0.4376
C11 C 0.2196(7) 0.5174(8) 0.4611(4)
H11A H 0.2017 0.5117 0.4818
C10 C 0.2543(9) 0.4946(4) 0.4566(5)
C17 C 0.3722(5) 0.3033(5) 0.5496(6)
C16 C 0.3452(4) 0.3261(5) 0.5531(5)
O1 O 0.37649(17) 0.62364(16) 0.18921(16)
O2 O 0.3244(2) 0.6444(2) 0.2237(2)
C3 C 0.4014(2) 0.5684(2) 0.24299(18)
H3B H 0.4179 0.5721 0.2207
C2 C 0.3667(2) 0.59127(18) 0.2472(2)
C7 C 0.34201(19) 0.5858(2) 0.2805(3)
H7A H 0.3188 0.6011 0.2833
C6 C 0.3521(3) 0.5575(2) 0.3096(2)
C5 C 0.3868(3) 0.5347(2) 0.3054(2)
H5A H 0.3936 0.5158 0.3248
C4 C 0.4115(2) 0.5402(2) 0.2721(3)
C1 C 0.3522(4) 0.6237(3) 0.2183(4)
C8 C 0.4426(4) 0.5134(4) 0.2663(3)
C9 C 0.4697(4) 0.4901(3) 0.2642(4)
C15 C 0.5031(6) 0.4256(8) 0.2811(4)
H15A H 0.4878 0.4226 0.3043
C14 C 0.5344(8) 0.3991(4) 0.2731(7)
C13 C 0.5572(3) 0.4036(6) 0.2383(9)
H13A H 0.5782 0.3859 0.2330
C12 C 0.5487(7) 0.4346(8) 0.2116(4)
H12A H 0.5640 0.4376 0.1884
C11 C 0.5174(8) 0.4611(4) 0.2196(7)
H11A H 0.5117 0.4818 0.2017
C10 C 0.4946(4) 0.4566(5) 0.2543(9)
C17 C 0.3033(5) 0.5496(6) 0.3722(5)
C16 C 0.3261(5) 0.5531(5) 0.3452(4)
O1 O 0.62364(16) 0.18921(16) 0.37649(17)
O2 O 0.6444(2) 0.2237(2) 0.3244(2)
C3 C 0.5684(2) 0.24299(18) 0.4014(2)
H3B H 0.5721 0.2207 0.4179
C2 C 0.59127(18) 0.2472(2) 0.3667(2)
C7 C 0.5858(2) 0.2805(3) 0.34201(19)
H7A H 0.6011 0.2833 0.3188
C6 C 0.5575(2) 0.3096(2) 0.3521(3)
C5 C 0.5347(2) 0.3054(2) 0.3868(3)
H5A H 0.5158 0.3248 0.3936
C4 C 0.5402(2) 0.2721(3) 0.4115(2)
C1 C 0.6237(3) 0.2183(4) 0.3522(4)
C8 C 0.5134(4) 0.2663(3) 0.4426(4)
C9 C 0.4901(3) 0.2642(4) 0.4697(4)
C15 C 0.4256(8) 0.2811(4) 0.5031(6)
H15A H 0.4226 0.3043 0.4878
C14 C 0.3991(4) 0.2731(7) 0.5344(8)
C13 C 0.4036(6) 0.2383(9) 0.5572(3)
H13A H 0.3859 0.2330 0.5782
C12 C 0.4346(8) 0.2116(4) 0.5487(7)
H12A H 0.4376 0.1884 0.5640
C11 C 0.4611(4) 0.2196(7) 0.5174(8)
H11A H 0.4818 0.2017 0.5117
C10 C 0.4566(5) 0.2543(9) 0.4946(4)
C17 C 0.5496(6) 0.3722(5) 0.3033(5)
C16 C 0.5531(5) 0.3452(4) 0.3261(5)
Zn1 Zn 0.3750 0.6250 0.1250
Zn1 Zn 0.6250 0.1250 0.3750
Zn2 Zn 0.43692(3) 0.56308(3) 0.06308(3)
Zn2 Zn 0.56308(3) 0.06308(3) 0.43692(3)
Zn2 Zn 0.31308(3) 0.68692(3) 0.18692(3)
Zn2 Zn 0.68692(3) 0.18692(3) 0.31308(3)
O1 O 0.06079(16) 0.37364(16) 0.62649(17)
O1 O 0.12364(16) 0.31079(16) 0.62351(17)
O2 O 0.0263(2) 0.3944(2) 0.5744(2)
O2 O 0.1444(2) 0.2763(2) 0.6756(2)
O1 O 0.62636(16) 0.12649(17) 0.43921(16)
O2 O 0.6056(2) 0.0744(2) 0.4737(2)
O3 O 0.52776(16) 0.02776(16) 0.47224(16)
C3 C 0.6816(2) 0.1514(2) 0.49299(18)
H3B H 0.6779 0.1679 0.4707
C2 C 0.65873(18) 0.1167(2) 0.4972(2)
C7 C 0.6642(2) 0.09201(19) 0.5305(3)
H7A H 0.6489 0.0688 0.5333
C6 C 0.6925(2) 0.1021(3) 0.5596(2)
C5 C 0.7153(2) 0.1368(3) 0.5554(2)
H5A H 0.7342 0.1436 0.5748
C4 C 0.7098(2) 0.1615(2) 0.5221(3)
C1 C 0.6263(3) 0.1022(4) 0.4683(4)
C8 C 0.7366(4) 0.1926(4) 0.5163(3)
C9 C 0.7599(3) 0.2197(4) 0.5142(4)
C15 C 0.8244(8) 0.2531(6) 0.5311(4)
H15A H 0.8274 0.2378 0.5543
C14 C 0.8509(4) 0.2844(8) 0.5231(7)
C13 C 0.8464(6) 0.3072(3) 0.4883(9)
H13A H 0.8641 0.3282 0.4830
C12 C 0.8154(8) 0.2987(7) 0.4616(4)
H12A H 0.8124 0.3140 0.4384
C11 C 0.7889(4) 0.2674(8) 0.4696(7)
H11A H 0.7682 0.2617 0.4517
C10 C 0.7934(5) 0.2446(4) 0.5043(9)
C17 C 0.7004(6) 0.0533(5) 0.6222(5)
C16 C 0.6969(5) 0.0761(5) 0.5952(4)
O1 O 1.06079(16) 0.37364(16) 0.62649(17)
O2 O 1.0263(2) 0.3944(2) 0.5744(2)
C3 C 1.00701(18) 0.3184(2) 0.6514(2)
H3B H 1.0293 0.3221 0.6679
C2 C 1.0028(2) 0.34127(18) 0.6167(2)
C7 C 0.9695(3) 0.3358(2) 0.59201(19)
H7A H 0.9667 0.3511 0.5688
C6 C 0.9404(2) 0.3075(2) 0.6021(3)
C5 C 0.9446(2) 0.2847(2) 0.6368(3)
H5A H 0.9252 0.2658 0.6436
C4 C 0.9779(3) 0.2902(2) 0.6615(2)
C1 C 1.0317(4) 0.3737(3) 0.6022(4)
C8 C 0.9837(3) 0.2634(4) 0.6926(4)
C9 C 0.9858(4) 0.2401(3) 0.7197(4)
C15 C 0.9689(4) 0.1756(8) 0.7531(6)
H15A H 0.9457 0.1726 0.7378
C14 C 0.9769(7) 0.1491(4) 0.7844(8)
C13 C 1.0117(9) 0.1536(6) 0.8072(3)
H13A H 1.0170 0.1359 0.8282
C12 C 1.0384(4) 0.1846(8) 0.7987(7)
H12A H 1.0616 0.1876 0.8140
C11 C 1.0304(7) 0.2111(4) 0.7674(8)
H11A H 1.0483 0.2318 0.7617
C10 C 0.9957(9) 0.2066(5) 0.7446(4)
C17 C 0.8778(5) 0.2996(6) 0.5533(5)
C16 C 0.9048(4) 0.3031(5) 0.5761(5)
O1 O 0.87351(17) -0.06079(16) 0.87364(16)
O2 O 0.9256(2) -0.0263(2) 0.8944(2)
C3 C 0.8486(2) -0.00701(18) 0.8184(2)
H3B H 0.8321 -0.0293 0.8221
C2 C 0.8833(2) -0.0028(2) 0.84127(18)
C7 C 0.90799(19) 0.0305(3) 0.8358(2)
H7A H 0.9312 0.0333 0.8511
C6 C 0.8979(3) 0.0596(2) 0.8075(2)
C5 C 0.8632(3) 0.0554(2) 0.7847(2)
H5A H 0.8564 0.0748 0.7658
C4 C 0.8385(2) 0.0221(3) 0.7902(2)
C1 C 0.8978(4) -0.0317(4) 0.8737(3)
C8 C 0.8074(4) 0.0163(3) 0.7634(4)
C9 C 0.7803(4) 0.0142(4) 0.7401(3)
C15 C 0.7469(6) 0.0311(4) 0.6756(8)
H15A H 0.7622 0.0543 0.6726
C14 C 0.7156(8) 0.0231(7) 0.6491(4)
C13 C 0.6928(3) -0.0117(9) 0.6536(6)
H13A H 0.6718 -0.0170 0.6359
C12 C 0.7013(7) -0.0384(4) 0.6846(8)
H12A H 0.6860 -0.0616 0.6876
C11 C 0.7326(8) -0.0304(7) 0.7111(4)
H11A H 0.7383 -0.0483 0.7318
C10 C 0.7554(4) 0.0043(9) 0.7066(5)
C17 C 0.9467(5) 0.1222(5) 0.7996(6)
C16 C 0.9239(5) 0.0952(4) 0.8031(5)
O3 O 0.72224(16) 0.22224(16) 0.27776(16)
O1 O 0.68921(16) 0.12351(17) 0.37636(16)
O2 O 0.7237(2) 0.1756(2) 0.3556(2)
C3 C 0.74299(18) 0.0986(2) 0.4316(2)
H3B H 0.7207 0.0821 0.4279
C2 C 0.7472(2) 0.1333(2) 0.40873(18)
C7 C 0.7805(3) 0.15799(19) 0.4142(2)
H7A H 0.7833 0.1812 0.3989
C6 C 0.8096(2) 0.1479(3) 0.4425(2)
C5 C 0.8054(2) 0.1132(3) 0.4653(2)
H5A H 0.8248 0.1064 0.4842
C4 C 0.7721(3) 0.0885(2) 0.4598(2)
C1 C 0.7183(4) 0.1478(4) 0.3763(3)
C8 C 0.7663(3) 0.0574(4) 0.4866(4)
C9 C 0.7642(4) 0.0303(4) 0.5099(3)
C15 C 0.7811(4) -0.0031(6) 0.5744(8)
H15A H 0.8043 0.0122 0.5774
C14 C 0.7731(7) -0.0344(8) 0.6009(4)
C13 C 0.7383(9) -0.0572(3) 0.5964(6)
H13A H 0.7330 -0.0782 0.6141
C12 C 0.7116(4) -0.0487(7) 0.5654(8)
H12A H 0.6884 -0.0640 0.5624
C11 C 0.7196(7) -0.0174(8) 0.5389(4)
H11A H 0.7017 -0.0117 0.5182
C10 C 0.7543(9) 0.0054(4) 0.5434(5)
C17 C 0.8722(5) 0.1967(5) 0.4504(6)
C16 C 0.8452(4) 0.1739(5) 0.4469(5)
O1 O 0.87649(17) -0.12364(16) 0.81079(16)
O2 O 0.8244(2) -0.1444(2) 0.7763(2)
C3 C 0.9014(2) -0.0684(2) 0.75701(18)
H3B H 0.9179 -0.0721 0.7793
C2 C 0.8667(2) -0.09127(18) 0.7528(2)
C7 C 0.84201(19) -0.0858(2) 0.7195(3)
H7A H 0.8188 -0.1011 0.7167
C6 C 0.8521(3) -0.0575(2) 0.6904(2)
C5 C 0.8868(3) -0.0347(2) 0.6946(2)
H5A H 0.8936 -0.0158 0.6752
C4 C 0.9115(2) -0.0402(2) 0.7279(3)
C1 C 0.8522(4) -0.1237(3) 0.7817(4)
C8 C 0.9426(4) -0.0134(4) 0.7337(3)
C9 C 0.9697(4) 0.0099(3) 0.7358(4)
C15 C 1.0031(6) 0.0744(8) 0.7189(4)
H15A H 0.9878 0.0774 0.6957
C14 C 1.0344(8) 0.1009(4) 0.7269(7)
C13 C 1.0572(3) 0.0964(6) 0.7617(9)
H13A H 1.0782 0.1141 0.7670
C12 C 1.0487(7) 0.0654(8) 0.7884(4)
H12A H 1.0640 0.0624 0.8116
C11 C 1.0174(8) 0.0389(4) 0.7804(7)
H11A H 1.0117 0.0182 0.7983
C10 C 0.9946(4) 0.0434(5) 0.7457(9)
C17 C 0.8033(5) -0.0496(6) 0.6278(5)
C16 C 0.8261(5) -0.0531(5) 0.6548(4)
O1 O 1.12364(16) 0.31079(16) 0.62351(17)
O2 O 1.1444(2) 0.2763(2) 0.6756(2)
C3 C 1.0684(2) 0.25701(18) 0.5986(2)
H3B H 1.0721 0.2793 0.5821
C2 C 1.09127(18) 0.2528(2) 0.6333(2)
C7 C 1.0858(2) 0.2195(3) 0.65799(19)
H7A H 1.1011 0.2167 0.6812
C6 C 1.0575(2) 0.1904(2) 0.6479(3)
C5 C 1.0347(2) 0.1946(2) 0.6132(3)
H5A H 1.0158 0.1752 0.6064
C4 C 1.0402(2) 0.2279(3) 0.5885(2)
C1 C 1.1237(3) 0.2817(4) 0.6478(4)
C8 C 1.0134(4) 0.2337(3) 0.5574(4)
C9 C 0.9901(3) 0.2358(4) 0.5303(4)
C15 C 0.9256(8) 0.2189(4) 0.4969(6)
H15A H 0.9226 0.1957 0.5122
C14 C 0.8991(4) 0.2269(7) 0.4656(8)
C13 C 0.9036(6) 0.2617(9) 0.4428(3)
H13A H 0.8859 0.2670 0.4218
C12 C 0.9346(8) 0.2884(4) 0.4513(7)
H12A H 0.9376 0.3116 0.4360
C11 C 0.9611(4) 0.2804(7) 0.4826(8)
H11A H 0.9818 0.2983 0.4883
C10 C 0.9566(5) 0.2457(9) 0.5054(4)
C17 C 1.0496(6) 0.1278(5) 0.6967(5)
C16 C 1.0531(5) 0.1548(4) 0.6739(5)
Zn1 Zn 0.8750 -0.1250 0.8750
Zn1 Zn 1.1250 0.3750 0.6250
Zn2 Zn 0.93692(3) -0.06308(3) 0.93692(3)
Zn2 Zn 1.06308(3) 0.43692(3) 0.56308(3)
Zn2 Zn 0.81308(3) -0.18692(3) 0.81308(3)
Zn2 Zn 1.18692(3) 0.31308(3) 0.68692(3)
O1 O 0.62649(17) 0.06079(16) 0.37364(16)
O1 O 0.62351(17) 0.12364(16) 0.31079(16)
O2 O 0.5744(2) 0.0263(2) 0.3944(2)
O2 O 0.6756(2) 0.1444(2) 0.2763(2)
Zn1 Zn 0.8750 0.8750 -0.1250
Zn2 Zn 0.93692(3) 0.93692(3) -0.06308(3)
O1 O 0.87364(16) 0.87351(17) -0.06079(16)
O2 O 0.8944(2) 0.9256(2) -0.0263(2)
O3 O 0.97224(16) 0.97224(16) -0.02776(16)
C3 C 0.8184(2) 0.8486(2) -0.00701(18)
H3B H 0.8221 0.8321 -0.0293
C2 C 0.84127(18) 0.8833(2) -0.0028(2)
C7 C 0.8358(2) 0.90799(19) 0.0305(3)
H7A H 0.8511 0.9312 0.0333
C6 C 0.8075(2) 0.8979(3) 0.0596(2)
C5 C 0.7847(2) 0.8632(3) 0.0554(2)
H5A H 0.7658 0.8564 0.0748
C4 C 0.7902(2) 0.8385(2) 0.0221(3)
C1 C 0.8737(3) 0.8978(4) -0.0317(4)
C8 C 0.7634(4) 0.8074(4) 0.0163(3)
C9 C 0.7401(3) 0.7803(4) 0.0142(4)
C15 C 0.6756(8) 0.7469(6) 0.0311(4)
H15A H 0.6726 0.7622 0.0543
C14 C 0.6491(4) 0.7156(8) 0.0231(7)
C13 C 0.6536(6) 0.6928(3) -0.0117(9)
H13A H 0.6359 0.6718 -0.0170
C12 C 0.6846(8) 0.7013(7) -0.0384(4)
H12A H 0.6876 0.6860 -0.0616
C11 C 0.7111(4) 0.7326(8) -0.0304(7)
H11A H 0.7318 0.7383 -0.0483
C10 C 0.7066(5) 0.7554(4) 0.0043(9)
C17 C 0.7996(6) 0.9467(5) 0.1222(5)
C16 C 0.8031(5) 0.9239(5) 0.0952(4)
O1 O 0.43921(16) 0.62636(16) 0.12649(17)
O2 O 0.4737(2) 0.6056(2) 0.0744(2)
C3 C 0.49299(18) 0.6816(2) 0.1514(2)
H3B H 0.4707 0.6779 0.1679
C2 C 0.4972(2) 0.65873(18) 0.1167(2)
C7 C 0.5305(3) 0.6642(2) 0.09201(19)
H7A H 0.5333 0.6489 0.0688
C6 C 0.5596(2) 0.6925(2) 0.1021(3)
C5 C 0.5554(2) 0.7153(2) 0.1368(3)
H5A H 0.5748 0.7342 0.1436
C4 C 0.5221(3) 0.7098(2) 0.1615(2)
C1 C 0.4683(4) 0.6263(3) 0.1022(4)
C8 C 0.5163(3) 0.7366(4) 0.1926(4)
C9 C 0.5142(4) 0.7599(3) 0.2197(4)
C15 C 0.5311(4) 0.8244(8) 0.2531(6)
H15A H 0.5543 0.8274 0.2378
C14 C 0.5231(7) 0.8509(4) 0.2844(8)
C13 C 0.4883(9) 0.8464(6) 0.3072(3)
H13A H 0.4830 0.8641 0.3282
C12 C 0.4616(4) 0.8154(8) 0.2987(7)
H12A H 0.4384 0.8124 0.3140
C11 C 0.4696(7) 0.7889(4) 0.2674(8)
H11A H 0.4517 0.7682 0.2617
C10 C 0.5043(9) 0.7934(5) 0.2446(4)
C17 C 0.6222(5) 0.7004(6) 0.0533(5)
C16 C 0.5952(4) 0.6969(5) 0.0761(5)
O1 O 0.62649(17) 1.06079(16) 0.37364(16)
O2 O 0.5744(2) 1.0263(2) 0.3944(2)
C3 C 0.6514(2) 1.00701(18) 0.3184(2)
H3B H 0.6679 1.0293 0.3221
C2 C 0.6167(2) 1.0028(2) 0.34127(18)
C7 C 0.59201(19) 0.9695(3) 0.3358(2)
H7A H 0.5688 0.9667 0.3511
C6 C 0.6021(3) 0.9404(2) 0.3075(2)
C5 C 0.6368(3) 0.9446(2) 0.2847(2)
H5A H 0.6436 0.9252 0.2658
C4 C 0.6615(2) 0.9779(3) 0.2902(2)
C1 C 0.6022(4) 1.0317(4) 0.3737(3)
C8 C 0.6926(4) 0.9837(3) 0.2634(4)
C9 C 0.7197(4) 0.9858(4) 0.2401(3)
C15 C 0.7531(6) 0.9689(4) 0.1756(8)
H15A H 0.7378 0.9457 0.1726
C14 C 0.7844(8) 0.9769(7) 0.1491(4)
C13 C 0.8072(3) 1.0117(9) 0.1536(6)
H13A H 0.8282 1.0170 0.1359
C12 C 0.7987(7) 1.0384(4) 0.1846(8)
H12A H 0.8140 1.0616 0.1876
C11 C 0.7674(8) 1.0304(7) 0.2111(4)
H11A H 0.7617 1.0483 0.2318
C10 C 0.7446(4) 0.9957(9) 0.2066(5)
C17 C 0.5533(5) 0.8778(5) 0.2996(6)
C16 C 0.5761(5) 0.9048(4) 0.3031(5)
Zn2 Zn 0.81308(3) 0.81308(3) -0.18692(3)
O3 O 0.77776(16) 0.77776(16) -0.22224(16)
O1 O 0.81079(16) 0.87649(17) -0.12364(16)
O2 O 0.7763(2) 0.8244(2) -0.1444(2)
C3 C 0.75701(18) 0.9014(2) -0.0684(2)
H3B H 0.7793 0.9179 -0.0721
C2 C 0.7528(2) 0.8667(2) -0.09127(18)
C7 C 0.7195(3) 0.84201(19) -0.0858(2)
H7A H 0.7167 0.8188 -0.1011
C6 C 0.6904(2) 0.8521(3) -0.0575(2)
C5 C 0.6946(2) 0.8868(3) -0.0347(2)
H5A H 0.6752 0.8936 -0.0158
C4 C 0.7279(3) 0.9115(2) -0.0402(2)
C1 C 0.7817(4) 0.8522(4) -0.1237(3)
C8 C 0.7337(3) 0.9426(4) -0.0134(4)
C9 C 0.7358(4) 0.9697(4) 0.0099(3)
C15 C 0.7189(4) 1.0031(6) 0.0744(8)
H15A H 0.6957 0.9878 0.0774
C14 C 0.7269(7) 1.0344(8) 0.1009(4)
C13 C 0.7617(9) 1.0572(3) 0.0964(6)
H13A H 0.7670 1.0782 0.1141
C12 C 0.7884(4) 1.0487(7) 0.0654(8)
H12A H 0.8116 1.0640 0.0624
C11 C 0.7804(7) 1.0174(8) 0.0389(4)
H11A H 0.7983 1.0117 0.0182
C10 C 0.7457(9) 0.9946(4) 0.0434(5)
C17 C 0.6278(5) 0.8033(5) -0.0496(6)
C16 C 0.6548(4) 0.8261(5) -0.0531(5)
O1 O 0.62351(17) 1.12364(16) 0.31079(16)
O2 O 0.6756(2) 1.1444(2) 0.2763(2)
C3 C 0.5986(2) 1.0684(2) 0.25701(18)
H3B H 0.5821 1.0721 0.2793
C2 C 0.6333(2) 1.09127(18) 0.2528(2)
C7 C 0.65799(19) 1.0858(2) 0.2195(3)
H7A H 0.6812 1.1011 0.2167
C6 C 0.6479(3) 1.0575(2) 0.1904(2)
C5 C 0.6132(3) 1.0347(2) 0.1946(2)
H5A H 0.6064 1.0158 0.1752
C4 C 0.5885(2) 1.0402(2) 0.2279(3)
C1 C 0.6478(4) 1.1237(3) 0.2817(4)
C8 C 0.5574(4) 1.0134(4) 0.2337(3)
C9 C 0.5303(4) 0.9901(3) 0.2358(4)
C15 C 0.4969(6) 0.9256(8) 0.2189(4)
H15A H 0.5122 0.9226 0.1957
C14 C 0.4656(8) 0.8991(4) 0.2269(7)
C13 C 0.4428(3) 0.9036(6) 0.2617(9)
H13A H 0.4218 0.8859 0.2670
C12 C 0.4513(7) 0.9346(8) 0.2884(4)
H12A H 0.4360 0.9376 0.3116
C11 C 0.4826(8) 0.9611(4) 0.2804(7)
H11A H 0.4883 0.9818 0.2983
C10 C 0.5054(4) 0.9566(5) 0.2457(9)
C17 C 0.6967(5) 1.0496(6) 0.1278(5)
C16 C 0.6739(5) 1.0531(5) 0.1548(4)
O1 O 0.37636(16) 0.68921(16) 0.12351(17)
O2 O 0.3556(2) 0.7237(2) 0.1756(2)
C3 C 0.4316(2) 0.74299(18) 0.0986(2)
H3B H 0.4279 0.7207 0.0821
C2 C 0.40873(18) 0.7472(2) 0.1333(2)
C7 C 0.4142(2) 0.7805(3) 0.15799(19)
H7A H 0.3989 0.7833 0.1812
C6 C 0.4425(2) 0.8096(2) 0.1479(3)
C5 C 0.4653(2) 0.8054(2) 0.1132(3)
H5A H 0.4842 0.8248 0.1064
C4 C 0.4598(2) 0.7721(3) 0.0885(2)
C1 C 0.3763(3) 0.7183(4) 0.1478(4)
C8 C 0.4866(4) 0.7663(3) 0.0574(4)
C9 C 0.5099(3) 0.7642(4) 0.0303(4)
C15 C 0.5744(8) 0.7811(4) -0.0031(6)
H15A H 0.5774 0.8043 0.0122
C14 C 0.6009(4) 0.7731(7) -0.0344(8)
C13 C 0.5964(6) 0.7383(9) -0.0572(3)
H13A H 0.6141 0.7330 -0.0782
C12 C 0.5654(8) 0.7116(4) -0.0487(7)
H12A H 0.5624 0.6884 -0.0640
C11 C 0.5389(4) 0.7196(7) -0.0174(8)
H11A H 0.5182 0.7017 -0.0117
C10 C 0.5434(5) 0.7543(9) 0.0054(4)
C17 C 0.4504(6) 0.8722(5) 0.1967(5)
C16 C 0.4469(5) 0.8452(4) 0.1739(5)
Zn1 Zn 0.6250 1.1250 0.3750
Zn2 Zn 0.56308(3) 1.06308(3) 0.43692(3)
Zn2 Zn 0.68692(3) 1.18692(3) 0.31308(3)
O1 O 0.93921(16) 0.87364(16) -0.12649(17)
O1 O 0.87351(17) 0.93921(16) -0.12636(16)
O1 O 0.87649(17) 0.87636(16) -0.18921(16)
O1 O 0.87636(16) 0.81079(16) -0.12351(17)
O2 O 0.9737(2) 0.8944(2) -0.0744(2)
O2 O 0.9256(2) 0.9737(2) -0.1056(2)
O2 O 0.8244(2) 0.8556(2) -0.2237(2)
O2 O 0.8556(2) 0.7763(2) -0.1756(2)
O3 O 1.02776(16) 0.47224(16) 0.52776(16)
O3 O 1.22224(16) 0.27776(16) 0.72224(16)
O1 O 1.12649(17) 0.43921(16) 0.62636(16)
O1 O 1.12636(16) 0.37351(17) 0.56079(16)
O1 O 1.18921(16) 0.37649(17) 0.62364(16)
O1 O 1.12351(17) 0.37636(16) 0.68921(16)
O2 O 1.0744(2) 0.4737(2) 0.6056(2)
O2 O 1.1056(2) 0.4256(2) 0.5263(2)
O2 O 1.2237(2) 0.3244(2) 0.6444(2)
O2 O 1.1756(2) 0.3556(2) 0.7237(2)
O3 O 0.47224(16) 0.52776(16) 0.02776(16)
O3 O 0.27776(16) 0.72224(16) 0.22224(16)
O1 O 0.37364(16) 0.62649(17) 0.06079(16)
O1 O 0.31079(16) 0.62351(17) 0.12364(16)
O2 O 0.3944(2) 0.5744(2) 0.0263(2)
O2 O 0.2763(2) 0.6756(2) 0.1444(2)
O3 O -0.02776(16) 0.97224(16) 0.97224(16)
O3 O -0.22224(16) 0.77776(16) 0.77776(16)
O1 O -0.12649(17) 0.93921(16) 0.87364(16)
O1 O -0.12636(16) 0.87351(17) 0.93921(16)
O1 O -0.18921(16) 0.87649(17) 0.87636(16)
O1 O -0.12351(17) 0.87636(16) 0.81079(16)
O2 O -0.0744(2) 0.9737(2) 0.8944(2)
O2 O -0.1056(2) 0.9256(2) 0.9737(2)
O2 O -0.2237(2) 0.8244(2) 0.8556(2)
O2 O -0.1756(2) 0.8556(2) 0.7763(2)
O3 O 0.52776(16) 1.02776(16) 0.47224(16)
O3 O 0.72224(16) 1.22224(16) 0.27776(16)
O1 O 0.62636(16) 1.12649(17) 0.43921(16)
O1 O 0.56079(16) 1.12636(16) 0.37351(17)
O1 O 0.62364(16) 1.18921(16) 0.37649(17)
O1 O 0.68921(16) 1.12351(17) 0.37636(16)
O2 O 0.6056(2) 1.0744(2) 0.4737(2)
O2 O 0.5263(2) 1.1056(2) 0.4256(2)
O2 O 0.6444(2) 1.2237(2) 0.3244(2)
O2 O 0.7237(2) 1.1756(2) 0.3556(2)
O3 O 0.97224(16) -0.02776(16) 0.97224(16)
O3 O 0.77776(16) -0.22224(16) 0.77776(16)
O1 O 0.87364(16) -0.12649(17) 0.93921(16)
O1 O 0.93921(16) -0.12636(16) 0.87351(17)
O1 O 0.87636(16) -0.18921(16) 0.87649(17)
O1 O 0.81079(16) -0.12351(17) 0.87636(16)
O2 O 0.8944(2) -0.0744(2) 0.9737(2)
O2 O 0.9737(2) -0.1056(2) 0.9256(2)
O2 O 0.8556(2) -0.2237(2) 0.8244(2)
O2 O 0.7763(2) -0.1756(2) 0.8556(2)

#END
_chemical_name_systematic        Zn-MCMOF
_exptl_crystal_colour            Yellow
_exptl_crystal_description       Cube
_diffrn_ambient_temperature      296
_chemical_formula_moiety         'C102 H42 O14 Zn3'
_chemical_formula_sum            'C102 H42 O14 Zn3'
_exptl_crystal_recrystallization_method 'Solvothermal crystallisation'
_chemical_properties_physical    Moisture-sensitive
_refine_special_details          SQUEEZE
