# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1509226'
_audit_update_record             
;
2016-12-02 deposited with the CCDC.
2017-02-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H26 N6 O16 P4 Zn3'
_chemical_formula_weight         950.48

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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.0895(16)
_cell_length_b                   11.829(2)
_cell_length_c                   18.063(4)
_cell_angle_alpha                86.63(3)
_cell_angle_beta                 77.32(3)
_cell_angle_gamma                77.33(3)
_cell_volume                     1645.2(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    15805
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.6

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_F_000             956
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_exptl_absorpt_coefficient_mu    2.447
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.619
_exptl_absorpt_correction_T_max  0.676
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  SCX-mini
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17583
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.099
_diffrn_reflns_theta_max         27.479
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7547
_reflns_number_gt                6061
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0254P)²+2.4757P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7547
_refine_ls_number_parameters     462
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0389
_refine_ls_wR_factor_ref         0.0802
_refine_ls_wR_factor_gt          0.0749
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.1578(4) 0.7602(3) 1.08953(18) 0.0176(6) Uani 1 1 d . . . . .
C2 C -0.2369(5) 0.7561(4) 1.1739(2) 0.0355(9) Uani 1 1 d . . . . .
H2A H -0.3311 0.7165 1.1818 0.053 Uiso 1 1 calc R U . . .
H2B H -0.2793 0.8336 1.1927 0.053 Uiso 1 1 calc R U . . .
H2C H -0.1504 0.7156 1.2004 0.053 Uiso 1 1 calc R U . . .
C3 C 0.4137(4) 0.6203(3) 0.80010(18) 0.0207(7) Uani 1 1 d . . . . .
C4 C 0.3738(6) 0.5358(3) 0.7501(2) 0.0352(9) Uani 1 1 d . . . . .
H4A H 0.3840 0.5662 0.6992 0.053 Uiso 1 1 calc R U . . .
H4B H 0.2578 0.5248 0.7692 0.053 Uiso 1 1 calc R U . . .
H4C H 0.4542 0.4629 0.7503 0.053 Uiso 1 1 calc R U . . .
C5 C 0.7919(5) 0.1243(3) 0.4790(2) 0.0302(8) Uani 1 1 d . . . . .
C6 C 0.8680(5) 0.2921(3) 0.4374(2) 0.0389(9) Uani 1 1 d . . . . .
C7 C 0.9935(4) 0.1295(3) 0.37215(19) 0.0281(8) Uani 1 1 d . . . . .
C8 C 1.1122(4) 0.0689(3) 0.3043(2) 0.0301(8) Uani 1 1 d . . . . .
C9 C 1.2109(5) 0.1281(4) 0.2506(2) 0.0399(10) Uani 1 1 d . . . . .
H9 H 1.2090 0.2059 0.2568 0.048 Uiso 1 1 calc R U . . .
C10 C 1.3145(5) 0.0681(5) 0.1861(2) 0.0494(12) Uani 1 1 d . . . . .
H10 H 1.3833 0.1058 0.1491 0.059 Uiso 1 1 calc R U . . .
C11 C 1.2230(6) -0.1004(5) 0.2287(3) 0.0579(13) Uani 1 1 d . . . . .
H11 H 1.2287 -0.1783 0.2209 0.069 Uiso 1 1 calc R U . . .
C12 C 1.1194(6) -0.0472(4) 0.2932(2) 0.0488(11) Uani 1 1 d . . . . .
H12 H 1.0545 -0.0887 0.3291 0.059 Uiso 1 1 calc R U . . .
C13 C 0.6844(4) 0.0588(3) 0.53522(19) 0.0281(8) Uani 1 1 d . . . . .
C14 C 0.7068(5) -0.0600(3) 0.5299(2) 0.0323(8) Uani 1 1 d . . . . .
H14 H 0.7909 -0.1008 0.4915 0.039 Uiso 1 1 calc R U . . .
C15 C 0.6020(5) -0.1167(4) 0.5827(2) 0.0407(10) Uani 1 1 d . . . . .
H15 H 0.6190 -0.1968 0.5797 0.049 Uiso 1 1 calc R U . . .
C16 C 0.4549(6) 0.0507(4) 0.6426(2) 0.0467(11) Uani 1 1 d . . . . .
H16 H 0.3674 0.0886 0.6810 0.056 Uiso 1 1 calc R U . . .
C17 C 0.5549(5) 0.1156(4) 0.5932(2) 0.0426(10) Uani 1 1 d . . . . .
H17 H 0.5360 0.1954 0.5986 0.051 Uiso 1 1 calc R U . . .
C18 C 0.8396(6) 0.4198(4) 0.4462(3) 0.0511(12) Uani 1 1 d . . . . .
C19 C 0.7305(10) 0.4725(5) 0.5094(4) 0.118(3) Uani 1 1 d . . . . .
H19 H 0.6745 0.4291 0.5474 0.142 Uiso 1 1 calc R U . . .
C20 C 0.8823(11) 0.6067(5) 0.4048(4) 0.101(2) Uani 1 1 d . . . . .
H20 H 0.9354 0.6526 0.3676 0.121 Uiso 1 1 calc R U . . .
C21 C 0.9170(8) 0.4876(4) 0.3934(3) 0.0772(18) Uani 1 1 d . . . . .
H21 H 0.9928 0.4553 0.3497 0.093 Uiso 1 1 calc R U . . .
C28 C 0.7051(12) 0.5904(6) 0.5158(6) 0.164(5) Uani 1 1 d . . . . .
H28 H 0.6303 0.6252 0.5590 0.197 Uiso 1 1 calc R U . . .
N1 N 0.9859(4) 0.2419(3) 0.37821(17) 0.0332(7) Uani 1 1 d . . . . .
N2 N 0.9024(4) 0.0657(3) 0.42113(16) 0.0280(7) Uani 1 1 d . . . . .
N3 N 0.7683(4) 0.2370(3) 0.48966(19) 0.0403(8) Uani 1 1 d . . . . .
N4 N 0.7794(8) 0.6565(4) 0.4650(4) 0.112(2) Uani 1 1 d . . . . .
H4 H 0.7612 0.7301 0.4710 0.135 Uiso 1 1 calc R U . . .
N5 N 0.4784(4) -0.0623(3) 0.63750(18) 0.0417(8) Uani 1 1 d . . . . .
H5 H 0.4144 -0.1003 0.6692 0.050 Uiso 1 1 calc R U . . .
N6 N 1.3140(4) -0.0416(4) 0.17822(19) 0.0500(10) Uani 1 1 d . . . . .
H6 H 1.3766 -0.0765 0.1379 0.060 Uiso 1 1 calc R U . . .
O1 O -0.3308(3) 0.97173(19) 1.04818(14) 0.0258(5) Uani 1 1 d . . . . .
O2 O -0.4881(3) 0.81267(18) 1.06558(13) 0.0205(5) Uani 1 1 d . . . . .
O3 O -0.2377(3) 0.8040(2) 0.95315(13) 0.0239(5) Uani 1 1 d . . . . .
O4 O 0.0959(3) 0.82080(18) 0.98400(12) 0.0199(5) Uani 1 1 d . . . . .
O5 O 0.1765(3) 0.73150(18) 1.10390(12) 0.0198(5) Uani 1 1 d . . . . .
O6 O -0.0020(3) 0.93584(18) 1.10638(13) 0.0228(5) Uani 1 1 d . . . . .
O7 O 0.2023(3) 0.56773(19) 0.93270(13) 0.0246(5) Uani 1 1 d . . . . .
O8 O 0.4913(3) 0.4374(2) 0.88932(14) 0.0346(6) Uani 1 1 d . . . . .
O9 O 0.4773(3) 0.63329(19) 0.94058(13) 0.0231(5) Uani 1 1 d . . . . .
O10 O 0.0851(3) 0.7478(2) 0.82296(13) 0.0251(5) Uani 1 1 d . . . . .
O11 O 0.3264(3) 0.85230(18) 0.83032(13) 0.0243(5) Uani 1 1 d . . . . .
O12 O 0.2933(3) 0.7891(2) 0.70571(13) 0.0282(5) Uani 1 1 d . . . . .
O13 O 0.5920(3) 0.6334(2) 0.77177(16) 0.0403(7) Uani 1 1 d . . . . .
O14 O -0.0977(3) 0.64406(18) 1.05792(14) 0.0250(5) Uani 1 1 d . . . . .
O15 O -0.1431(3) 0.5659(2) 0.90271(15) 0.0312(6) Uani 1 1 d D . . . .
H15A H -0.1144 0.4900 0.9215 0.037 Uiso 1 1 d DR U . . .
H15B H -0.2639 0.5810 0.9204 0.037 Uiso 1 1 d DR U . . .
O16 O 0.1593(7) 0.5980(5) 0.2434(3) 0.165(3) Uani 1 1 d D . . . .
H16A H 0.1687 0.6337 0.1944 0.198 Uiso 1 1 d DR U . . .
H16B H 0.1749 0.5168 0.2389 0.198 Uiso 1 1 d DR U . . .
P1 P -0.31211(10) 0.84421(7) 1.03374(5) 0.01673(17) Uani 1 1 d . . . . .
P2 P 0.04099(10) 0.81761(7) 1.07102(5) 0.01547(16) Uani 1 1 d . . . . .
P3 P 0.39216(10) 0.56218(7) 0.89825(5) 0.01689(17) Uani 1 1 d . . . . .
P4 P 0.26834(11) 0.76135(7) 0.79292(5) 0.01860(17) Uani 1 1 d . . . . .
Zn1 Zn 0.41435(4) 0.68368(3) 1.04525(2) 0.01663(9) Uani 1 1 d . . . . .
Zn2 Zn 0.18677(5) 0.94008(3) 0.91789(2) 0.01817(9) Uani 1 1 d . . . . .
Zn3 Zn -0.01147(5) 0.69144(3) 0.92599(2) 0.02027(9) 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 O14 1.458(4) . ?
C1 C2 1.520(5) . ?
C1 P2 1.837(3) . ?
C1 P1 1.858(3) . ?
C3 O13 1.460(4) . ?
C3 C4 1.514(5) . ?
C3 P4 1.834(3) . ?
C3 P3 1.849(3) . ?
C5 N3 1.325(5) . ?
C5 N2 1.332(4) . ?
C5 C13 1.485(5) . ?
C6 N1 1.336(5) . ?
C6 N3 1.338(5) . ?
C6 C18 1.490(6) . ?
C7 N1 1.327(5) . ?
C7 N2 1.332(4) . ?
C7 C8 1.491(5) . ?
C8 C9 1.377(5) . ?
C8 C12 1.386(6) . ?
C9 C10 1.404(6) . ?
C10 N6 1.315(6) . ?
C11 N6 1.309(6) . ?
C11 C12 1.371(6) . ?
C13 C14 1.384(5) . ?
C13 C17 1.391(5) . ?
C14 C15 1.377(5) . ?
C15 N5 1.324(5) . ?
C16 N5 1.314(5) . ?
C16 C17 1.384(6) . ?
C18 C21 1.346(7) . ?
C18 C19 1.368(7) . ?
C19 C28 1.373(8) . ?
C20 N4 1.298(8) . ?
C20 C21 1.393(7) . ?
C28 N4 1.302(9) . ?
O1 P1 1.515(2) . ?
O1 Zn2 1.935(2) 2_577 ?
O2 P1 1.531(2) . ?
O2 Zn1 1.951(2) 1_455 ?
O3 P1 1.509(2) . ?
O3 Zn3 1.994(2) . ?
O4 P2 1.537(2) . ?
O4 Zn2 1.957(2) . ?
O4 Zn3 2.316(2) . ?
O5 P2 1.522(2) . ?
O5 Zn1 1.960(2) . ?
O6 P2 1.510(2) . ?
O6 Zn2 1.957(2) 2_577 ?
O7 P3 1.514(2) . ?
O7 Zn3 2.027(2) . ?
O8 P3 1.516(2) . ?
O8 Zn1 1.936(2) 2_667 ?
O9 P3 1.526(2) . ?
O9 Zn1 1.941(2) . ?
O10 P4 1.503(2) . ?
O10 Zn3 1.991(2) . ?
O11 P4 1.510(2) . ?
O11 Zn2 1.937(2) . ?
O12 P4 1.568(2) . ?
O14 Zn3 2.401(2) . ?
O15 Zn3 2.117(2) . ?
Zn1 O8 1.936(2) 2_667 ?
Zn1 O2 1.951(2) 1_655 ?
Zn2 O1 1.935(2) 2_577 ?
Zn2 O6 1.957(2) 2_577 ?

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
O14 C1 C2 111.3(3) . . ?
O14 C1 P2 103.07(19) . . ?
C2 C1 P2 111.8(2) . . ?
O14 C1 P1 107.6(2) . . ?
C2 C1 P1 112.8(2) . . ?
P2 C1 P1 109.77(16) . . ?
O13 C3 C4 108.8(3) . . ?
O13 C3 P4 108.4(2) . . ?
C4 C3 P4 108.3(2) . . ?
O13 C3 P3 108.8(2) . . ?
C4 C3 P3 109.4(2) . . ?
P4 C3 P3 113.11(17) . . ?
N3 C5 N2 125.1(3) . . ?
N3 C5 C13 117.3(3) . . ?
N2 C5 C13 117.6(3) . . ?
N1 C6 N3 125.1(4) . . ?
N1 C6 C18 118.6(4) . . ?
N3 C6 C18 116.3(4) . . ?
N1 C7 N2 125.7(3) . . ?
N1 C7 C8 117.7(3) . . ?
N2 C7 C8 116.7(3) . . ?
C9 C8 C12 119.1(4) . . ?
C9 C8 C7 120.7(4) . . ?
C12 C8 C7 120.2(3) . . ?
C8 C9 C10 118.3(4) . . ?
N6 C10 C9 119.7(4) . . ?
N6 C11 C12 120.0(5) . . ?
C11 C12 C8 119.5(4) . . ?
C14 C13 C17 118.2(3) . . ?
C14 C13 C5 120.7(3) . . ?
C17 C13 C5 121.0(3) . . ?
C15 C14 C13 118.6(4) . . ?
N5 C15 C14 123.0(4) . . ?
N5 C16 C17 122.7(4) . . ?
C16 C17 C13 118.6(4) . . ?
C21 C18 C19 117.5(5) . . ?
C21 C18 C6 122.5(4) . . ?
C19 C18 C6 120.0(4) . . ?
C18 C19 C28 119.0(6) . . ?
N4 C20 C21 123.1(6) . . ?
C18 C21 C20 119.4(6) . . ?
N4 C28 C19 123.8(7) . . ?
C7 N1 C6 114.3(3) . . ?
C5 N2 C7 114.8(3) . . ?
C5 N3 C6 115.0(3) . . ?
C20 N4 C28 117.3(6) . . ?
C16 N5 C15 118.9(4) . . ?
C11 N6 C10 123.3(4) . . ?
P1 O1 Zn2 133.71(14) . 2_577 ?
P1 O2 Zn1 131.87(13) . 1_455 ?
P1 O3 Zn3 121.23(13) . . ?
P2 O4 Zn2 129.11(13) . . ?
P2 O4 Zn3 112.86(11) . . ?
Zn2 O4 Zn3 115.94(10) . . ?
P2 O5 Zn1 120.84(13) . . ?
P2 O6 Zn2 121.98(13) . 2_577 ?
P3 O7 Zn3 131.09(13) . . ?
P3 O8 Zn1 136.47(15) . 2_667 ?
P3 O9 Zn1 130.24(14) . . ?
P4 O10 Zn3 126.56(14) . . ?
P4 O11 Zn2 123.94(14) . . ?
C1 O14 Zn3 100.06(16) . . ?
O3 P1 O1 116.66(14) . . ?
O3 P1 O2 112.15(13) . . ?
O1 P1 O2 107.87(13) . . ?
O3 P1 C1 104.73(14) . . ?
O1 P1 C1 107.93(14) . . ?
O2 P1 C1 106.99(13) . . ?
O6 P2 O5 112.88(13) . . ?
O6 P2 O4 113.29(13) . . ?
O5 P2 O4 109.99(13) . . ?
O6 P2 C1 108.25(14) . . ?
O5 P2 C1 107.68(13) . . ?
O4 P2 C1 104.23(13) . . ?
O7 P3 O8 110.68(15) . . ?
O7 P3 O9 113.76(13) . . ?
O8 P3 O9 111.61(14) . . ?
O7 P3 C3 109.08(14) . . ?
O8 P3 C3 104.35(14) . . ?
O9 P3 C3 106.83(14) . . ?
O10 P4 O11 116.24(14) . . ?
O10 P4 O12 108.78(14) . . ?
O11 P4 O12 108.55(13) . . ?
O10 P4 C3 108.21(14) . . ?
O11 P4 C3 109.42(14) . . ?
O12 P4 C3 105.08(14) . . ?
O8 Zn1 O9 110.55(10) 2_667 . ?
O8 Zn1 O2 102.21(10) 2_667 1_655 ?
O9 Zn1 O2 115.05(10) . 1_655 ?
O8 Zn1 O5 100.62(11) 2_667 . ?
O9 Zn1 O5 125.13(9) . . ?
O2 Zn1 O5 100.19(9) 1_655 . ?
O1 Zn2 O11 107.58(10) 2_577 . ?
O1 Zn2 O4 120.05(10) 2_577 . ?
O11 Zn2 O4 102.60(9) . . ?
O1 Zn2 O6 101.16(9) 2_577 2_577 ?
O11 Zn2 O6 113.55(10) . 2_577 ?
O4 Zn2 O6 112.27(10) . 2_577 ?
O10 Zn3 O3 101.46(10) . . ?
O10 Zn3 O7 95.25(10) . . ?
O3 Zn3 O7 162.60(9) . . ?
O10 Zn3 O15 102.91(10) . . ?
O3 Zn3 O15 89.63(10) . . ?
O7 Zn3 O15 91.37(9) . . ?
O10 Zn3 O4 92.02(9) . . ?
O3 Zn3 O4 85.02(9) . . ?
O7 Zn3 O4 89.60(9) . . ?
O15 Zn3 O4 164.88(9) . . ?
O10 Zn3 O14 169.75(9) . . ?
O3 Zn3 O14 79.67(9) . . ?
O7 Zn3 O14 83.02(9) . . ?
O15 Zn3 O14 87.25(9) . . ?
O4 Zn3 O14 77.89(8) . . ?

_refine_diff_density_max         0.547
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.093

