# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1857523'
_audit_update_record             
;
2018-07-23 deposited with the CCDC.
2018-08-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H36 N12 O16 P4 Zn3'
_chemical_formula_weight         1260.80

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                   10.9701(7)
_cell_length_b                   14.1004(6)
_cell_length_c                   16.9569(8)
_cell_angle_alpha                105.651(4)
_cell_angle_beta                 108.779(5)
_cell_angle_gamma                100.702(4)
_cell_volume                     2281.9(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4196
_cell_measurement_theta_min      2.6170
_cell_measurement_theta_max      30.7650

_exptl_crystal_description       rod-shape
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_F_000             1276
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    1.793
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_T_max  0.792
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.16b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_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  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13191
_diffrn_reflns_av_unetI/netI     0.0654
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.601
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_full        25.009
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8039
_reflns_number_gt                6012
_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       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0502P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8039
_refine_ls_number_parameters     681
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0411
_refine_ls_wR_factor_ref         0.1092
_refine_ls_wR_factor_gt          0.1003
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_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
Zn1 Zn 0.99586(5) 0.88622(4) 0.40951(3) 0.02131(13) Uani 1 1 d . . . . .
Zn2 Zn 0.51550(5) 0.62003(4) 0.43714(3) 0.01864(13) Uani 1 1 d . . . . .
Zn3 Zn 0.91175(5) 0.62122(4) 0.58859(3) 0.01834(13) Uani 1 1 d . . . . .
P1 P 0.77531(11) 0.98298(8) 0.40180(8) 0.0204(3) Uani 1 1 d D . . . .
P2 P 0.72804(11) 0.76244(8) 0.40357(7) 0.0190(2) Uani 1 1 d . . . . .
P3 P 0.85089(11) 0.48205(8) 0.37981(7) 0.0162(2) Uani 1 1 d . . . . .
P4 P 0.63432(11) 0.44534(8) 0.45429(7) 0.0164(2) Uani 1 1 d . . . . .
C1 C 0.6495(4) 0.8612(3) 0.3727(3) 0.0207(9) Uani 1 1 d . . . . .
C2 C 0.5499(5) 0.8801(4) 0.4133(4) 0.0347(12) Uani 1 1 d . . . . .
H2A H 0.505464 0.925573 0.390831 0.052 Uiso 1 1 calc R U . . .
H2B H 0.595909 0.911099 0.476848 0.052 Uiso 1 1 calc R U . . .
H2C H 0.484171 0.815726 0.398178 0.052 Uiso 1 1 calc R U . . .
C3 C 0.7303(4) 0.3872(3) 0.3954(3) 0.0166(9) Uani 1 1 d D . . . .
C4 C 0.6368(4) 0.3044(3) 0.3055(3) 0.0299(11) Uani 1 1 d D . . . .
H4A H 0.689401 0.272124 0.277630 0.045 Uiso 1 1 calc R U . . .
H4B H 0.585646 0.335505 0.268098 0.045 Uiso 1 1 calc R U . . .
H4C H 0.576296 0.253463 0.314258 0.045 Uiso 1 1 calc R U . . .
C5 C 0.9284(5) 0.7565(4) 0.2275(3) 0.0408(14) Uani 1 1 d . . . . .
H5 H 0.842112 0.752111 0.226191 0.049 Uiso 1 1 calc R U . . .
C6 C 0.9409(5) 0.7098(4) 0.1491(3) 0.0339(12) Uani 1 1 d . . . . .
H6 H 0.865091 0.675225 0.096384 0.041 Uiso 1 1 calc R U . . .
C7 C 1.0674(4) 0.7157(3) 0.1509(3) 0.0207(9) Uani 1 1 d . . . . .
C8 C 1.1773(4) 0.7679(3) 0.2308(3) 0.0237(10) Uani 1 1 d . . . . .
H8 H 1.264470 0.772151 0.233943 0.028 Uiso 1 1 calc R U . . .
C9 C 1.1555(4) 0.8135(3) 0.3055(3) 0.0233(10) Uani 1 1 d . . . . .
H9 H 1.229852 0.850190 0.358765 0.028 Uiso 1 1 calc R U . . .
C10 C 1.0851(4) 0.6660(3) 0.0674(3) 0.0206(9) Uani 1 1 d . . . . .
C11 C 1.2170(4) 0.6239(3) -0.0048(3) 0.0221(10) Uani 1 1 d . . . . .
C12 C 1.3529(4) 0.6251(3) -0.0044(3) 0.0228(10) Uani 1 1 d . . . . .
C13 C 1.4577(5) 0.6366(4) 0.0716(3) 0.0306(11) Uani 1 1 d . . . . .
H13 H 1.446245 0.647200 0.124951 0.037 Uiso 1 1 calc R U . . .
C14 C 1.5799(5) 0.6324(4) 0.0680(4) 0.0382(13) Uani 1 1 d . . . . .
H14 H 1.648447 0.636450 0.119425 0.046 Uiso 1 1 calc R U . . .
C15 C 1.5033(5) 0.6111(4) -0.0784(4) 0.0394(13) Uani 1 1 d . . . . .
H15 H 1.519055 0.603351 -0.130160 0.047 Uiso 1 1 calc R U . . .
C16 C 1.3755(5) 0.6098(4) -0.0824(3) 0.0323(11) Uani 1 1 d . . . . .
H16 H 1.306017 0.598903 -0.135977 0.039 Uiso 1 1 calc R U . . .
C17 C 0.9929(4) 0.5750(3) -0.0795(3) 0.0204(9) Uani 1 1 d . . . . .
C18 C 0.8734(4) 0.5191(3) -0.1636(3) 0.0177(9) Uani 1 1 d . . . . .
C19 C 0.7437(4) 0.5092(3) -0.1651(3) 0.0241(10) Uani 1 1 d . . . . .
H19 H 0.730982 0.537893 -0.113260 0.029 Uiso 1 1 calc R U . . .
C20 C 0.6364(5) 0.4569(4) -0.2437(3) 0.0265(10) Uani 1 1 d . . . . .
H20 H 0.550277 0.451270 -0.244221 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7734(4) 0.4224(3) -0.3190(3) 0.0217(9) Uani 1 1 d . . . . .
H21 H 0.783342 0.392969 -0.371784 0.026 Uiso 1 1 calc R U . . .
C22 C 0.8867(4) 0.4737(3) -0.2424(3) 0.0229(10) Uani 1 1 d . . . . .
H22 H 0.971809 0.478108 -0.243376 0.027 Uiso 1 1 calc R U . . .
C23 C 0.7697(4) 0.6935(3) 0.7116(3) 0.0253(10) Uani 1 1 d . . . . .
H23 H 0.692236 0.660909 0.659623 0.030 Uiso 1 1 calc R U . . .
C24 C 0.7582(4) 0.7422(3) 0.7890(3) 0.0263(10) Uani 1 1 d . . . . .
H24 H 0.673765 0.743509 0.788946 0.032 Uiso 1 1 calc R U . . .
C25 C 0.8711(4) 0.7892(3) 0.8671(3) 0.0211(10) Uani 1 1 d . . . . .
C26 C 0.9955(4) 0.7871(4) 0.8648(3) 0.0265(10) Uani 1 1 d . . . . .
H26 H 1.074176 0.818851 0.916055 0.032 Uiso 1 1 calc R U . . .
C27 C 0.9995(5) 0.7369(4) 0.7846(3) 0.0276(11) Uani 1 1 d . . . . .
H27 H 1.082871 0.734253 0.783088 0.033 Uiso 1 1 calc R U . . .
C28 C 0.8603(4) 0.8432(3) 0.9515(3) 0.0223(10) Uani 1 1 d . . . . .
C29 C 0.9582(5) 0.9348(3) 1.0986(3) 0.0242(10) Uani 1 1 d . . . . .
C30 C 1.0826(5) 0.9864(3) 1.1809(3) 0.0237(10) Uani 1 1 d . . . . .
C31 C 1.2071(5) 0.9885(4) 1.1771(3) 0.0318(11) Uani 1 1 d . . . . .
H31 H 1.213931 0.957956 1.123423 0.038 Uiso 1 1 calc R U . . .
C32 C 1.3195(5) 1.0364(4) 1.2540(3) 0.0383(13) Uani 1 1 d . . . . .
H32 H 1.402691 1.038167 1.250474 0.046 Uiso 1 1 calc R U . . .
C33 C 1.1989(5) 1.0791(4) 1.3361(3) 0.0342(12) Uani 1 1 d . . . . .
H33 H 1.195393 1.110367 1.390855 0.041 Uiso 1 1 calc R U . . .
C34 C 1.0786(5) 1.0337(4) 1.2624(3) 0.0316(11) Uani 1 1 d . . . . .
H34 H 0.996894 1.034937 1.267408 0.038 Uiso 1 1 calc R U . . .
C35 C 0.7336(5) 0.8896(3) 1.0271(3) 0.0264(10) Uani 1 1 d . . . . .
C36 C 0.5982(5) 0.8862(3) 1.0266(3) 0.0258(10) Uani 1 1 d . . . . .
C37 C 0.5737(5) 0.8982(4) 1.1032(3) 0.0349(12) Uani 1 1 d . . . . .
H37 H 0.642660 0.910697 1.157426 0.042 Uiso 1 1 calc R U . . .
C38 C 0.4427(6) 0.8910(4) 1.0963(4) 0.0449(14) Uani 1 1 d . . . . .
H38 H 0.425811 0.896275 1.147392 0.054 Uiso 1 1 calc R U . . .
C39 C 0.3669(5) 0.8683(4) 0.9508(4) 0.0389(13) Uani 1 1 d . . . . .
H39 H 0.297290 0.860699 0.898431 0.047 Uiso 1 1 calc R U . . .
C40 C 0.4917(5) 0.8695(4) 0.9488(3) 0.0353(12) Uani 1 1 d . . . . .
H40 H 0.503889 0.859151 0.895709 0.042 Uiso 1 1 calc R U . . .
N1 N 1.0329(4) 0.8074(3) 0.3051(2) 0.0248(8) Uani 1 1 d . . . . .
N2 N 1.2096(3) 0.6707(3) 0.0726(2) 0.0224(8) Uani 1 1 d . . . . .
N3 N 1.1130(4) 0.5766(3) -0.0828(2) 0.0239(8) Uani 1 1 d . . . . .
N4 N 0.9732(4) 0.6194(3) -0.0061(2) 0.0220(8) Uani 1 1 d . . . . .
N5 N 1.6061(4) 0.6230(3) -0.0038(3) 0.0393(11) Uani 1 1 d . . . . .
N6 N 0.6480(4) 0.4129(3) -0.3205(2) 0.0234(8) Uani 1 1 d . . . . .
N7 N 0.8904(4) 0.6916(3) 0.7086(2) 0.0215(8) Uani 1 1 d . . . . .
N8 N 0.7376(4) 0.8421(3) 0.9485(2) 0.0262(9) Uani 1 1 d . . . . .
N9 N 0.9737(4) 0.8876(3) 1.0245(2) 0.0253(9) Uani 1 1 d . . . . .
N10 N 0.8395(4) 0.9370(3) 1.1040(2) 0.0247(8) Uani 1 1 d . . . . .
N11 N 1.3187(4) 1.0811(3) 1.3340(3) 0.0385(10) Uani 1 1 d . . . . .
N12 N 0.3400(4) 0.8772(3) 1.0228(3) 0.0409(11) Uani 1 1 d . . . . .
O1 O 0.8774(3) 0.9632(2) 0.3626(2) 0.0276(7) Uani 1 1 d . . . . .
O2 O 0.7005(3) 1.0503(2) 0.3573(2) 0.0333(8) Uani 1 1 d D . . . .
H2 H 0.664390 1.089910 0.391188 0.050 Uiso 1 1 d DR U . . .
O3 O 0.8307(3) 1.0341(2) 0.50190(19) 0.0264(7) Uani 1 1 d D . . . .
O4 O 0.8807(3) 0.8134(2) 0.45360(19) 0.0226(7) Uani 1 1 d . . . . .
O5 O 0.6919(3) 0.6771(2) 0.31619(19) 0.0276(7) Uani 1 1 d D . . . .
O6 O 0.6702(3) 0.7304(2) 0.46576(19) 0.0261(7) Uani 1 1 d . . . . .
O7 O 0.9405(3) 0.4261(2) 0.34794(18) 0.0210(7) Uani 1 1 d . . . . .
O8 O 0.7674(3) 0.5118(2) 0.30234(18) 0.0241(7) Uani 1 1 d D . . . .
H8A H 0.736(4) 0.568(2) 0.310(3) 0.036 Uiso 1 1 d D U . . .
O9 O 0.9235(3) 0.5743(2) 0.46437(18) 0.0192(6) Uani 1 1 d . . . . .
O10 O 0.7312(3) 0.5262(2) 0.54245(19) 0.0239(7) Uani 1 1 d . . . . .
O11 O 0.5471(3) 0.4891(2) 0.39369(19) 0.0231(7) Uani 1 1 d . . . . .
O12 O 0.5503(3) 0.3569(2) 0.46876(19) 0.0228(7) Uani 1 1 d . . . . .
O13 O 0.5765(4) 0.8208(3) 0.2756(2) 0.0537(11) Uani 1 1 d . . . . .
H13A H 0.629121 0.809683 0.251716 0.081 Uiso 1 1 calc R U . . .
O14 O 0.8041(3) 0.3362(2) 0.44954(19) 0.0249(7) Uani 1 1 d D . . . .
H14A H 0.741204 0.282377 0.445434 0.037 Uiso 1 1 d DR U . . .
O15 O 1.0052(3) 0.7692(2) 0.5993(2) 0.0330(8) Uani 1 1 d . . . . .
O16 O 0.5980(3) 0.1580(3) 0.4483(2) 0.0402(9) Uani 1 1 d D . . . .
H16A H 0.583962 0.219153 0.468040 0.060 Uiso 1 1 d DR U . . .
H16B H 0.507278 0.132843 0.421446 0.060 Uiso 1 1 d DR U . . .


_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
Zn1 O3 1.896(3) 2_776 ?
Zn1 O4 1.936(3) . ?
Zn1 O1 1.956(3) . ?
Zn1 N1 2.026(3) . ?
Zn2 O6 1.902(3) . ?
Zn2 O12 1.929(3) 2_666 ?
Zn2 O11 1.934(3) . ?
Zn2 N6 2.063(4) 2_665 ?
Zn3 O10 1.945(3) . ?
Zn3 O7 1.974(3) 2_766 ?
Zn3 O15 2.078(3) . ?
Zn3 O9 2.085(3) . ?
Zn3 N7 2.118(3) . ?
P1 O1 1.507(3) . ?
P1 O3 1.511(3) . ?
P1 O2 1.555(3) . ?
P1 C1 1.822(4) . ?
P2 O5 1.511(3) . ?
P2 O6 1.517(3) . ?
P2 O4 1.533(3) . ?
P2 C1 1.872(4) . ?
P3 O9 1.502(3) . ?
P3 O7 1.511(3) . ?
P3 O8 1.551(3) . ?
P3 C3 1.834(4) . ?
P4 O10 1.507(3) . ?
P4 O11 1.510(3) . ?
P4 O12 1.533(3) . ?
P4 C3 1.827(4) . ?
C1 O13 1.468(5) . ?
C1 C2 1.494(6) . ?
C3 O14 1.453(4) . ?
C3 C4 1.525(6) . ?
C5 N1 1.332(6) . ?
C5 C6 1.377(6) . ?
C6 C7 1.365(6) . ?
C7 C8 1.383(6) . ?
C7 C10 1.492(5) . ?
C8 C9 1.374(6) . ?
C9 N1 1.330(5) . ?
C10 N4 1.328(5) . ?
C10 N2 1.328(5) . ?
C11 N3 1.329(5) . ?
C11 N2 1.337(5) . ?
C11 C12 1.486(6) . ?
C12 C13 1.368(6) . ?
C12 C16 1.390(6) . ?
C13 C14 1.373(6) . ?
C14 N5 1.317(6) . ?
C15 N5 1.340(6) . ?
C15 C16 1.378(6) . ?
C17 N3 1.332(5) . ?
C17 N4 1.339(5) . ?
C17 C18 1.477(6) . ?
C18 C22 1.384(6) . ?
C18 C19 1.395(6) . ?
C19 C20 1.357(6) . ?
C20 N6 1.342(5) . ?
C21 N6 1.348(5) . ?
C21 C22 1.368(6) . ?
C23 N7 1.346(5) . ?
C23 C24 1.364(6) . ?
C24 C25 1.376(6) . ?
C25 C26 1.384(6) . ?
C25 C28 1.482(5) . ?
C26 C27 1.372(6) . ?
C27 N7 1.334(6) . ?
C28 N8 1.328(5) . ?
C28 N9 1.332(6) . ?
C29 N9 1.335(5) . ?
C29 N10 1.339(5) . ?
C29 C30 1.482(6) . ?
C30 C34 1.382(6) . ?
C30 C31 1.383(6) . ?
C31 C32 1.362(7) . ?
C32 N11 1.336(6) . ?
C33 N11 1.323(6) . ?
C33 C34 1.381(7) . ?
C35 N10 1.328(6) . ?
C35 N8 1.338(5) . ?
C35 C36 1.474(6) . ?
C36 C40 1.377(7) . ?
C36 C37 1.383(6) . ?
C37 C38 1.385(7) . ?
C38 N12 1.321(7) . ?
C39 N12 1.325(6) . ?
C39 C40 1.377(6) . ?

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
O3 Zn1 O4 113.52(12) 2_776 . ?
O3 Zn1 O1 116.28(13) 2_776 . ?
O4 Zn1 O1 97.80(12) . . ?
O3 Zn1 N1 104.37(14) 2_776 . ?
O4 Zn1 N1 120.02(14) . . ?
O1 Zn1 N1 105.08(14) . . ?
O6 Zn2 O12 110.91(12) . 2_666 ?
O6 Zn2 O11 110.04(13) . . ?
O12 Zn2 O11 118.62(12) 2_666 . ?
O6 Zn2 N6 117.47(13) . 2_665 ?
O12 Zn2 N6 106.48(13) 2_666 2_665 ?
O11 Zn2 N6 92.51(13) . 2_665 ?
O10 Zn3 O7 115.58(12) . 2_766 ?
O10 Zn3 O15 139.34(13) . . ?
O7 Zn3 O15 104.96(13) 2_766 . ?
O10 Zn3 O9 92.03(11) . . ?
O7 Zn3 O9 97.45(11) 2_766 . ?
O15 Zn3 O9 85.38(11) . . ?
O10 Zn3 N7 89.54(12) . . ?
O7 Zn3 N7 91.11(12) 2_766 . ?
O15 Zn3 N7 86.75(13) . . ?
O9 Zn3 N7 169.62(12) . . ?
O1 P1 O3 115.82(18) . . ?
O1 P1 O2 107.69(17) . . ?
O3 P1 O2 109.52(17) . . ?
O1 P1 C1 109.51(19) . . ?
O3 P1 C1 106.92(18) . . ?
O2 P1 C1 107.07(19) . . ?
O5 P2 O6 114.45(17) . . ?
O5 P2 O4 112.53(17) . . ?
O6 P2 O4 109.18(16) . . ?
O5 P2 C1 105.20(18) . . ?
O6 P2 C1 106.72(18) . . ?
O4 P2 C1 108.37(18) . . ?
O9 P3 O7 115.01(17) . . ?
O9 P3 O8 111.44(16) . . ?
O7 P3 O8 107.24(15) . . ?
O9 P3 C3 109.72(17) . . ?
O7 P3 C3 106.53(17) . . ?
O8 P3 C3 106.45(18) . . ?
O10 P4 O11 113.02(17) . . ?
O10 P4 O12 110.41(16) . . ?
O11 P4 O12 112.16(17) . . ?
O10 P4 C3 109.02(18) . . ?
O11 P4 C3 106.27(17) . . ?
O12 P4 C3 105.56(16) . . ?
O13 C1 C2 107.6(4) . . ?
O13 C1 P1 107.3(3) . . ?
C2 C1 P1 109.7(3) . . ?
O13 C1 P2 107.4(3) . . ?
C2 C1 P2 112.4(3) . . ?
P1 C1 P2 112.2(2) . . ?
O14 C3 C4 107.3(3) . . ?
O14 C3 P4 106.3(2) . . ?
C4 C3 P4 111.1(3) . . ?
O14 C3 P3 108.9(3) . . ?
C4 C3 P3 109.8(3) . . ?
P4 C3 P3 113.1(2) . . ?
N1 C5 C6 123.7(4) . . ?
C7 C6 C5 118.3(4) . . ?
C6 C7 C8 118.9(4) . . ?
C6 C7 C10 119.9(4) . . ?
C8 C7 C10 121.2(4) . . ?
C9 C8 C7 118.9(4) . . ?
N1 C9 C8 122.9(4) . . ?
N4 C10 N2 125.6(4) . . ?
N4 C10 C7 116.5(4) . . ?
N2 C10 C7 117.9(4) . . ?
N3 C11 N2 125.6(4) . . ?
N3 C11 C12 116.8(4) . . ?
N2 C11 C12 117.6(4) . . ?
C13 C12 C16 118.1(4) . . ?
C13 C12 C11 121.1(4) . . ?
C16 C12 C11 120.7(4) . . ?
C12 C13 C14 119.1(4) . . ?
N5 C14 C13 124.1(5) . . ?
N5 C15 C16 123.5(5) . . ?
C15 C16 C12 118.4(5) . . ?
N3 C17 N4 125.0(4) . . ?
N3 C17 C18 116.9(4) . . ?
N4 C17 C18 118.2(4) . . ?
C22 C18 C19 118.3(4) . . ?
C22 C18 C17 121.1(4) . . ?
C19 C18 C17 120.6(4) . . ?
C20 C19 C18 118.8(4) . . ?
N6 C20 C19 123.4(4) . . ?
N6 C21 C22 122.3(4) . . ?
C21 C22 C18 119.4(4) . . ?
N7 C23 C24 121.6(4) . . ?
C23 C24 C25 120.3(4) . . ?
C24 C25 C26 118.5(4) . . ?
C24 C25 C28 120.9(4) . . ?
C26 C25 C28 120.7(4) . . ?
C27 C26 C25 118.1(4) . . ?
N7 C27 C26 123.6(4) . . ?
N8 C28 N9 125.1(4) . . ?
N8 C28 C25 117.2(4) . . ?
N9 C28 C25 117.7(4) . . ?
N9 C29 N10 125.0(4) . . ?
N9 C29 C30 116.6(4) . . ?
N10 C29 C30 118.4(4) . . ?
C34 C30 C31 118.3(4) . . ?
C34 C30 C29 121.8(4) . . ?
C31 C30 C29 119.9(4) . . ?
C32 C31 C30 118.4(4) . . ?
N11 C32 C31 124.7(5) . . ?
N11 C33 C34 124.2(4) . . ?
C33 C34 C30 118.3(4) . . ?
N10 C35 N8 125.8(4) . . ?
N10 C35 C36 118.3(4) . . ?
N8 C35 C36 115.9(4) . . ?
C40 C36 C37 118.0(4) . . ?
C40 C36 C35 120.5(4) . . ?
C37 C36 C35 121.4(4) . . ?
C36 C37 C38 117.7(5) . . ?
N12 C38 C37 125.1(5) . . ?
N12 C39 C40 123.9(5) . . ?
C39 C40 C36 119.2(5) . . ?
C9 N1 C5 117.3(4) . . ?
C9 N1 Zn1 124.3(3) . . ?
C5 N1 Zn1 117.9(3) . . ?
C10 N2 C11 114.3(4) . . ?
C11 N3 C17 114.6(4) . . ?
C10 N4 C17 114.8(4) . . ?
C14 N5 C15 116.7(4) . . ?
C20 N6 C21 117.7(4) . . ?
C20 N6 Zn2 117.4(3) . 2_665 ?
C21 N6 Zn2 121.5(3) . 2_665 ?
C27 N7 C23 117.9(4) . . ?
C27 N7 Zn3 119.7(3) . . ?
C23 N7 Zn3 122.4(3) . . ?
C28 N8 C35 114.6(4) . . ?
C28 N9 C29 115.2(4) . . ?
C35 N10 C29 114.3(4) . . ?
C33 N11 C32 116.0(4) . . ?
C38 N12 C39 116.0(4) . . ?
P1 O1 Zn1 117.87(17) . . ?
P1 O3 Zn1 134.14(18) . 2_776 ?
P2 O4 Zn1 124.90(17) . . ?
P2 O6 Zn2 128.68(18) . . ?
P3 O7 Zn3 131.39(17) . 2_766 ?
P3 O9 Zn3 135.58(16) . . ?
P4 O10 Zn3 136.23(17) . . ?
P4 O11 Zn2 122.82(17) . . ?
P4 O12 Zn2 122.40(17) . 2_666 ?

_refine_diff_density_max         1.828
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.097

