# 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. 
# 
#######################################################################

data_s2
_database_code_depnum_ccdc_archive 'CCDC 1039284'
_audit_update_record             
;
2014-12-14 deposited with the CCDC.
2015-02-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            Medi-MOF-1
_chemical_melting_point          none
_chemical_formula_moiety         'C42 H34 O12 Zn3'
_chemical_formula_sum            'C42 H34 O12 Zn3'
_chemical_formula_weight         926.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   P3221

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'y, x, -z'
'-x, -x+y, -z+2/3'
'x-y, -y, -z+1/3'

_cell_length_a                   18.1019(8)
_cell_length_b                   18.1019(8)
_cell_length_c                   24.668(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7000.2(7)
_cell_formula_units_Z            3
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4368
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      18.80

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.660
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1416
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_T_max  0.854
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '9.00 cm'
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            36843
_diffrn_reflns_av_R_equivalents  0.1176
_diffrn_reflns_av_sigmaI/netI    0.1352
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.30
_diffrn_reflns_theta_max         25.49
_reflns_number_total             8651
_reflns_number_gt                4570
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 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 > 2sigma(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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1268P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.52(3)
_refine_ls_number_reflns         8651
_refine_ls_number_parameters     261
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1335
_refine_ls_R_factor_gt           0.0692
_refine_ls_wR_factor_ref         0.2569
_refine_ls_wR_factor_gt          0.2338
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.078
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3848(13) 0.5241(9) 1.0309(5) 0.160(9) Uani 1 1 d . . .
H1A H 0.4286 0.5790 1.0184 0.240 Uiso 1 1 calc R . .
H1B H 0.4032 0.5098 1.0637 0.240 Uiso 1 1 calc R . .
H1C H 0.3335 0.5259 1.0377 0.240 Uiso 1 1 calc R . .
C2 C 0.3725(6) 0.4219(6) 0.9022(3) 0.051(2) Uani 1 1 d . . .
C3 C 0.3966(6) 0.4886(6) 0.9396(3) 0.056(3) Uani 1 1 d . . .
C4 C 0.4450(7) 0.5732(6) 0.9247(4) 0.070(3) Uani 1 1 d . . .
H4 H 0.4602 0.6167 0.9499 0.084 Uiso 1 1 calc R . .
C5 C 0.4714(8) 0.5923(6) 0.8687(4) 0.077(3) Uani 1 1 d . . .
C6 C 0.4422(9) 0.5276(7) 0.8325(4) 0.091(4) Uani 1 1 d . . .
H6 H 0.4540 0.5405 0.7959 0.110 Uiso 1 1 calc R . .
C7 C 0.3945(7) 0.4416(7) 0.8482(3) 0.072(3) Uani 1 1 d . . .
H7 H 0.3779 0.3984 0.8226 0.087 Uiso 1 1 calc R . .
C8 C 0.5299(7) 0.6799(7) 0.8509(4) 0.083(4) Uani 1 1 d . . .
H8 H 0.5339 0.6897 0.8138 0.099 Uiso 1 1 calc R . .
C9 C 0.5789(8) 0.7483(7) 0.8831(4) 0.080(4) Uani 1 1 d . . .
H9 H 0.5730 0.7411 0.9205 0.096 Uiso 1 1 calc R . .
C10 C 0.6399(6) 0.8319(6) 0.8623(3) 0.052(3) Uani 1 1 d . . .
C11 C 0.7001(7) 0.8883(6) 0.8956(4) 0.063(3) Uani 1 1 d . . .
H11 H 0.6933 0.8735 0.9321 0.076 Uiso 1 1 calc R . .
C12 C 0.7728(6) 0.9675(7) 0.8825(3) 0.053(2) Uani 1 1 d . . .
C13 C 0.8383(7) 1.0157(6) 0.9236(3) 0.060(3) Uani 1 1 d . . .
H13 H 0.8293 0.9965 0.9593 0.072 Uiso 1 1 calc R . .
C14 C 0.9109(6) 1.0869(7) 0.9104(4) 0.060(3) Uani 1 1 d . . .
H14 H 0.9152 1.1048 0.8746 0.072 Uiso 1 1 calc R . .
C15 C 0.9830(6) 1.1391(6) 0.9446(3) 0.052(3) Uani 1 1 d . . .
C16 C 1.0505(6) 1.2086(7) 0.9205(4) 0.063(3) Uani 1 1 d . . .
H16 H 1.0461 1.2199 0.8842 0.076 Uiso 1 1 calc R . .
C17 C 1.1252(7) 1.2629(7) 0.9485(4) 0.065(3) Uani 1 1 d . . .
H17 H 1.1681 1.3112 0.9315 0.078 Uiso 1 1 calc R . .
C18 C 1.1359(6) 1.2448(6) 1.0023(3) 0.048(2) Uani 1 1 d . . .
C19 C 1.0671(6) 1.1752(6) 1.0276(3) 0.051(3) Uani 1 1 d . . .
C20 C 0.9918(6) 1.1232(6) 0.9992(4) 0.057(3) Uani 1 1 d . . .
H20 H 0.9469 1.0773 1.0168 0.068 Uiso 1 1 calc R . .
C21 C 1.0230(7) 1.0904(8) 1.1090(4) 0.085(4) Uani 1 1 d . . .
H21A H 0.9737 1.0948 1.1178 0.128 Uiso 1 1 calc R . .
H21B H 1.0488 1.0855 1.1418 0.128 Uiso 1 1 calc R . .
H21C H 1.0062 1.0409 1.0869 0.128 Uiso 1 1 calc R . .
O1 O 0.3692(5) 0.4630(4) 0.9915(2) 0.073(2) Uani 1 1 d . . .
O2 O 0.3295(4) 0.3425(4) 0.92086(19) 0.0500(14) Uani 1 1 d . . .
O3 O 0.6351(4) 0.8413(4) 0.8119(2) 0.0622(19) Uani 1 1 d . . .
O4 O 0.7893(4) 1.0003(4) 0.8350(2) 0.0491(16) Uani 1 1 d . . .
O5 O 1.2072(4) 1.2916(4) 1.0288(2) 0.0479(15) Uani 1 1 d . . .
O6 O 1.0829(4) 1.1649(4) 1.0801(2) 0.0607(18) Uani 1 1 d . . .
Zn1 Zn 0.32423(8) 0.32423(8) 1.0000 0.0470(4) Uani 1 2 d S . .
Zn2 Zn 0.28048(7) 0.22203(6) 0.89374(4) 0.0443(3) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.391(13) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 O2 1.328(10) . ?
C2 C7 1.384(11) . ?
C2 C3 1.406(12) . ?
C3 O1 1.367(10) . ?
C3 C4 1.381(12) . ?
C4 C5 1.446(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.352(13) . ?
C5 C8 1.465(13) . ?
C6 C7 1.406(14) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.362(14) . ?
C8 H8 0.9300 . ?
C9 C10 1.449(13) . ?
C9 H9 0.9300 . ?
C10 O3 1.264(9) . ?
C10 C11 1.339(12) . ?
C11 C12 1.416(13) . ?
C11 H11 0.9300 . ?
C12 O4 1.279(10) . ?
C12 C13 1.470(12) . ?
C13 C14 1.342(13) . ?
C13 H13 0.9300 . ?
C14 C15 1.441(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(13) . ?
C15 C20 1.402(12) . ?
C16 C17 1.394(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.404(11) . ?
C17 H17 0.9300 . ?
C18 O5 1.309(10) . ?
C18 C19 1.398(12) . ?
C19 O6 1.360(10) . ?
C19 C20 1.396(12) . ?
C20 H20 0.9300 . ?
C21 O6 1.428(12) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
O1 Zn1 2.229(6) . ?
O2 Zn1 1.974(5) . ?
O2 Zn2 2.014(6) . ?
O3 Zn2 1.944(6) 5_666 ?
O4 Zn2 1.931(6) 5_666 ?
O5 Zn2 1.954(5) 4_667 ?
O5 Zn1 2.023(6) 1_665 ?
O6 Zn2 2.423(6) 4_667 ?
Zn1 O2 1.974(5) 4_557 ?
Zn1 O5 2.023(6) 1_445 ?
Zn1 O5 2.023(6) 4_447 ?
Zn1 O1 2.229(6) 4_557 ?
Zn1 Zn2 3.0748(11) 4_557 ?
Zn2 O4 1.931(6) 5_656 ?
Zn2 O3 1.944(6) 5_656 ?
Zn2 O5 1.954(5) 4_447 ?
Zn2 O6 2.423(6) 4_447 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 C7 123.4(8) . . ?
O2 C2 C3 117.6(7) . . ?
C7 C2 C3 119.0(9) . . ?
O1 C3 C4 123.2(8) . . ?
O1 C3 C2 114.8(8) . . ?
C4 C3 C2 122.0(8) . . ?
C3 C4 C5 118.0(9) . . ?
C3 C4 H4 121.0 . . ?
C5 C4 H4 121.0 . . ?
C6 C5 C4 119.0(9) . . ?
C6 C5 C8 119.8(10) . . ?
C4 C5 C8 121.1(9) . . ?
C5 C6 C7 122.2(9) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 H6 118.9 . . ?
C2 C7 C6 119.4(9) . . ?
C2 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
C9 C8 C5 126.9(10) . . ?
C9 C8 H8 116.5 . . ?
C5 C8 H8 116.5 . . ?
C8 C9 C10 123.6(9) . . ?
C8 C9 H9 118.2 . . ?
C10 C9 H9 118.2 . . ?
O3 C10 C11 125.9(9) . . ?
O3 C10 C9 114.9(9) . . ?
C11 C10 C9 118.9(8) . . ?
C10 C11 C12 128.5(8) . . ?
C10 C11 H11 115.8 . . ?
C12 C11 H11 115.8 . . ?
O4 C12 C11 124.2(8) . . ?
O4 C12 C13 115.2(9) . . ?
C11 C12 C13 120.6(8) . . ?
C14 C13 C12 120.9(8) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 128.2(9) . . ?
C13 C14 H14 115.9 . . ?
C15 C14 H14 115.9 . . ?
C16 C15 C20 117.6(8) . . ?
C16 C15 C14 116.4(8) . . ?
C20 C15 C14 126.0(9) . . ?
C15 C16 C17 122.3(8) . . ?
C15 C16 H16 118.9 . . ?
C17 C16 H16 118.9 . . ?
C16 C17 C18 120.3(9) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
O5 C18 C19 120.5(8) . . ?
O5 C18 C17 121.8(8) . . ?
C19 C18 C17 117.7(8) . . ?
O6 C19 C20 125.9(8) . . ?
O6 C19 C18 113.2(8) . . ?
C20 C19 C18 120.9(8) . . ?
C19 C20 C15 121.1(9) . . ?
C19 C20 H20 119.5 . . ?
C15 C20 H20 119.5 . . ?
O6 C21 H21A 109.5 . . ?
O6 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O6 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C3 O1 C1 119.2(8) . . ?
C3 O1 Zn1 109.7(5) . . ?
C1 O1 Zn1 130.2(7) . . ?
C2 O2 Zn1 118.6(5) . . ?
C2 O2 Zn2 139.3(5) . . ?
Zn1 O2 Zn2 100.9(2) . . ?
C10 O3 Zn2 122.5(6) . 5_666 ?
C12 O4 Zn2 122.3(6) . 5_666 ?
C18 O5 Zn2 124.2(5) . 4_667 ?
C18 O5 Zn1 124.3(5) . 1_665 ?
Zn2 O5 Zn1 101.3(2) 4_667 1_665 ?
C19 O6 C21 119.5(7) . . ?
C19 O6 Zn2 109.5(5) . 4_667 ?
C21 O6 Zn2 130.8(6) . 4_667 ?
O2 Zn1 O2 167.6(3) . 4_557 ?
O2 Zn1 O5 110.6(2) . 1_445 ?
O2 Zn1 O5 78.0(2) 4_557 1_445 ?
O2 Zn1 O5 78.0(2) . 4_447 ?
O2 Zn1 O5 110.6(2) 4_557 4_447 ?
O5 Zn1 O5 95.9(3) 1_445 4_447 ?
O2 Zn1 O1 94.6(2) . 4_557 ?
O2 Zn1 O1 76.0(2) 4_557 4_557 ?
O5 Zn1 O1 153.9(2) 1_445 4_557 ?
O5 Zn1 O1 95.8(3) 4_447 4_557 ?
O2 Zn1 O1 76.0(2) . . ?
O2 Zn1 O1 94.6(2) 4_557 . ?
O5 Zn1 O1 95.8(3) 1_445 . ?
O5 Zn1 O1 153.9(2) 4_447 . ?
O1 Zn1 O1 83.5(4) 4_557 . ?
O2 Zn1 Zn2 149.17(18) . 4_557 ?
O2 Zn1 Zn2 40.04(17) 4_557 4_557 ?
O5 Zn1 Zn2 38.56(15) 1_445 4_557 ?
O5 Zn1 Zn2 101.91(16) 4_447 4_557 ?
O1 Zn1 Zn2 115.91(15) 4_557 4_557 ?
O1 Zn1 Zn2 101.78(16) . 4_557 ?
O4 Zn2 O3 96.6(3) 5_656 5_656 ?
O4 Zn2 O5 150.3(3) 5_656 4_447 ?
O3 Zn2 O5 108.7(3) 5_656 4_447 ?
O4 Zn2 O2 106.7(2) 5_656 . ?
O3 Zn2 O2 111.8(3) 5_656 . ?
O5 Zn2 O2 78.7(2) 4_447 . ?
O4 Zn2 O6 85.6(2) 5_656 4_447 ?
O3 Zn2 O6 108.2(3) 5_656 4_447 ?
O5 Zn2 O6 72.0(2) 4_447 4_447 ?
O2 Zn2 O6 136.2(2) . 4_447 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C2 C3 O1 -2.5(14) . . . . ?
C7 C2 C3 O1 177.6(9) . . . . ?
O2 C2 C3 C4 176.7(10) . . . . ?
C7 C2 C3 C4 -3.2(17) . . . . ?
O1 C3 C4 C5 178.9(11) . . . . ?
C2 C3 C4 C5 -0.3(18) . . . . ?
C3 C4 C5 C6 5(2) . . . . ?
C3 C4 C5 C8 -173.8(12) . . . . ?
C4 C5 C6 C7 -7(2) . . . . ?
C8 C5 C6 C7 172.1(13) . . . . ?
O2 C2 C7 C6 -178.2(11) . . . . ?
C3 C2 C7 C6 1.7(17) . . . . ?
C5 C6 C7 C2 4(2) . . . . ?
C6 C5 C8 C9 -164.7(15) . . . . ?
C4 C5 C8 C9 14(2) . . . . ?
C5 C8 C9 C10 175.4(13) . . . . ?
C8 C9 C10 O3 11.0(18) . . . . ?
C8 C9 C10 C11 -162.7(13) . . . . ?
O3 C10 C11 C12 -3(2) . . . . ?
C9 C10 C11 C12 169.6(12) . . . . ?
C10 C11 C12 O4 5(2) . . . . ?
C10 C11 C12 C13 -171.7(11) . . . . ?
O4 C12 C13 C14 -2.6(15) . . . . ?
C11 C12 C13 C14 174.1(11) . . . . ?
C12 C13 C14 C15 -176.6(10) . . . . ?
C13 C14 C15 C16 179.0(11) . . . . ?
C13 C14 C15 C20 2.0(18) . . . . ?
C20 C15 C16 C17 -0.8(16) . . . . ?
C14 C15 C16 C17 -178.0(10) . . . . ?
C15 C16 C17 C18 3.9(17) . . . . ?
C16 C17 C18 O5 176.0(9) . . . . ?
C16 C17 C18 C19 -5.0(15) . . . . ?
O5 C18 C19 O6 1.2(13) . . . . ?
C17 C18 C19 O6 -177.9(9) . . . . ?
O5 C18 C19 C20 -177.9(9) . . . . ?
C17 C18 C19 C20 3.1(15) . . . . ?
O6 C19 C20 C15 -178.9(9) . . . . ?
C18 C19 C20 C15 0.0(15) . . . . ?
C16 C15 C20 C19 -1.2(15) . . . . ?
C14 C15 C20 C19 175.8(10) . . . . ?
C4 C3 O1 C1 5.0(18) . . . . ?
C2 C3 O1 C1 -175.7(13) . . . . ?
C4 C3 O1 Zn1 -165.2(9) . . . . ?
C2 C3 O1 Zn1 14.0(11) . . . . ?
C7 C2 O2 Zn1 167.1(8) . . . . ?
C3 C2 O2 Zn1 -12.8(12) . . . . ?
C7 C2 O2 Zn2 2.7(16) . . . . ?
C3 C2 O2 Zn2 -177.2(7) . . . . ?
C11 C10 O3 Zn2 1.9(15) . . . 5_666 ?
C9 C10 O3 Zn2 -171.3(8) . . . 5_666 ?
C11 C12 O4 Zn2 -4.1(14) . . . 5_666 ?
C13 C12 O4 Zn2 172.4(6) . . . 5_666 ?
C19 C18 O5 Zn2 -7.7(12) . . . 4_667 ?
C17 C18 O5 Zn2 171.3(7) . . . 4_667 ?
C19 C18 O5 Zn1 130.8(8) . . . 1_665 ?
C17 C18 O5 Zn1 -50.2(12) . . . 1_665 ?
C20 C19 O6 C21 7.0(15) . . . . ?
C18 C19 O6 C21 -171.9(10) . . . . ?
C20 C19 O6 Zn2 -177.1(8) . . . 4_667 ?
C18 C19 O6 Zn2 4.0(10) . . . 4_667 ?
C2 O2 Zn1 O2 -26.5(6) . . . 4_557 ?
Zn2 O2 Zn1 O2 143.3(2) . . . 4_557 ?
C2 O2 Zn1 O5 106.3(6) . . . 1_445 ?
Zn2 O2 Zn1 O5 -84.0(3) . . . 1_445 ?
C2 O2 Zn1 O5 -161.8(7) . . . 4_447 ?
Zn2 O2 Zn1 O5 7.9(2) . . . 4_447 ?
C2 O2 Zn1 O1 -66.8(7) . . . 4_557 ?
Zn2 O2 Zn1 O1 102.9(3) . . . 4_557 ?
C2 O2 Zn1 O1 15.3(7) . . . . ?
Zn2 O2 Zn1 O1 -175.0(3) . . . . ?
C2 O2 Zn1 Zn2 104.9(6) . . . 4_557 ?
Zn2 O2 Zn1 Zn2 -85.4(4) . . . 4_557 ?
C3 O1 Zn1 O2 -15.5(6) . . . . ?
C1 O1 Zn1 O2 175.6(13) . . . . ?
C3 O1 Zn1 O2 156.2(7) . . . 4_557 ?
C1 O1 Zn1 O2 -12.7(13) . . . 4_557 ?
C3 O1 Zn1 O5 -125.4(6) . . . 1_445 ?
C1 O1 Zn1 O5 65.8(13) . . . 1_445 ?
C3 O1 Zn1 O5 -9.1(11) . . . 4_447 ?
C1 O1 Zn1 O5 -178.0(12) . . . 4_447 ?
C3 O1 Zn1 O1 80.9(6) . . . 4_557 ?
C1 O1 Zn1 O1 -88.0(13) . . . 4_557 ?
C3 O1 Zn1 Zn2 -164.0(6) . . . 4_557 ?
C1 O1 Zn1 Zn2 27.2(13) . . . 4_557 ?
C2 O2 Zn2 O4 -52.2(9) . . . 5_656 ?
Zn1 O2 Zn2 O4 141.7(3) . . . 5_656 ?
C2 O2 Zn2 O3 52.2(9) . . . 5_656 ?
Zn1 O2 Zn2 O3 -113.9(3) . . . 5_656 ?
C2 O2 Zn2 O5 157.9(9) . . . 4_447 ?
Zn1 O2 Zn2 O5 -8.1(2) . . . 4_447 ?
C2 O2 Zn2 O6 -153.6(8) . . . 4_447 ?
Zn1 O2 Zn2 O6 40.3(4) . . . 4_447 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.49
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.764
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.184
