# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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. 
# 
#######################################################################

data_11790
_database_code_depnum_ccdc_archive 'CCDC 1492702'
_audit_update_record             
;
2016-07-13 deposited with the CCDC.
2017-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H26 N12 Zn2'
_chemical_formula_sum            'C42 H26 N12 Zn2'
_chemical_formula_weight         829.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   9.6285(3)
_cell_length_b                   9.8729(3)
_cell_length_c                   10.6722(4)
_cell_angle_alpha                99.852(2)
_cell_angle_beta                 96.899(2)
_cell_angle_gamma                116.498(2)
_cell_volume                     872.06(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    13124
_cell_measurement_theta_min      2.037
_cell_measurement_theta_max      25.028

_exptl_crystal_description       prism
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             422
_exptl_absorpt_coefficient_mu    1.428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5989
_exptl_absorpt_correction_T_max  0.9320
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10529
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_av_sigmaI/netI    0.0790
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.38
_diffrn_reflns_theta_max         25.64
_reflns_number_total             5839
_reflns_number_gt                5100
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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 > 2σ(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)+(0.1029P)²+0.7068P] 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   0.00
_refine_ls_number_reflns         5839
_refine_ls_number_parameters     505
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0532
_refine_ls_wR_factor_ref         0.1619
_refine_ls_wR_factor_gt          0.1330
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.028
_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
Zn1 Zn 0.69403(8) 0.66544(8) 0.74408(8) 0.0301(3) Uani 1 1 d . . .
Zn2 Zn 1.30139(7) 0.98609(7) 0.70436(7) 0.0275(2) Uani 1 1 d . . .
C1 C 0.9872(8) 0.7502(9) 0.6523(8) 0.0266(16) Uani 1 1 d . . .
C2 C 1.0299(9) 0.8216(9) 0.7903(8) 0.0280(16) Uani 1 1 d . . .
C3 C 1.0112(9) 0.8775(9) 0.9874(8) 0.0286(16) Uani 1 1 d . . .
C4 C 0.9672(10) 0.8909(11) 1.1066(8) 0.0370(19) Uani 1 1 d . . .
H4 H 0.8610 0.8278 1.1131 0.044 Uiso 1 1 calc R . .
C5 C 1.0807(11) 0.9975(11) 1.2146(8) 0.042(2) Uani 1 1 d . . .
H5 H 1.0525 1.0086 1.2966 0.050 Uiso 1 1 calc R . .
C6 C 1.2374(10) 1.0900(11) 1.2053(9) 0.042(2) Uani 1 1 d . . .
H6 H 1.3137 1.1628 1.2814 0.051 Uiso 1 1 calc R . .
C7 C 1.2839(9) 1.0781(9) 1.0885(8) 0.0336(18) Uani 1 1 d . . .
H7 H 1.3904 1.1411 1.0826 0.040 Uiso 1 1 calc R . .
C8 C 1.1686(9) 0.9703(9) 0.9799(8) 0.0284(17) Uani 1 1 d . . .
C9 C 1.0102(9) 0.6991(9) 0.4562(7) 0.0263(16) Uani 1 1 d . . .
C10 C 1.0547(10) 0.6880(10) 0.3358(8) 0.0319(18) Uani 1 1 d . . .
H10 H 1.1543 0.7635 0.3255 0.038 Uiso 1 1 calc R . .
C11 C 0.9495(10) 0.5643(10) 0.2337(8) 0.0364(19) Uani 1 1 d . . .
H11 H 0.9790 0.5518 0.1524 0.044 Uiso 1 1 calc R . .
C12 C 0.7964(10) 0.4536(11) 0.2463(8) 0.041(2) Uani 1 1 d . . .
H12 H 0.7252 0.3703 0.1733 0.049 Uiso 1 1 calc R . .
C13 C 0.7514(10) 0.4670(10) 0.3642(8) 0.0378(19) Uani 1 1 d . . .
H13 H 0.6497 0.3945 0.3734 0.045 Uiso 1 1 calc R . .
C14 C 0.8602(9) 0.5904(9) 0.4693(8) 0.0310(17) Uani 1 1 d . . .
C15 C 0.5315(7) 0.8453(10) 0.7323(8) 0.0267(17) Uani 1 1 d . . .
C16 C 0.4999(9) 0.7877(10) 0.8475(8) 0.0302(17) Uani 1 1 d . . .
C17 C 0.4010(9) 0.7228(9) 1.0174(7) 0.0300(17) Uani 1 1 d . . .
C18 C 0.3174(11) 0.6923(11) 1.1139(9) 0.037(2) Uani 1 1 d . . .
H18 H 0.2447 0.7312 1.1274 0.044 Uiso 1 1 calc R . .
C19 C 0.3434(10) 0.6030(10) 1.1903(8) 0.0372(19) Uani 1 1 d . . .
H19 H 0.2883 0.5804 1.2584 0.045 Uiso 1 1 calc R . .
C20 C 0.4505(10) 0.5447(10) 1.1688(8) 0.0387(19) Uani 1 1 d . . .
H20 H 0.4669 0.4843 1.2235 0.046 Uiso 1 1 calc R . .
C21 C 0.5319(10) 0.5732(10) 1.0705(9) 0.0377(19) Uani 1 1 d . . .
H21 H 0.6034 0.5331 1.0563 0.045 Uiso 1 1 calc R . .
C22 C 0.5060(10) 0.6624(11) 0.9930(9) 0.029(2) Uani 1 1 d . . .
C23 C 0.6298(9) 0.8703(9) 0.5597(8) 0.0255(18) Uani 1 1 d . . .
C24 C 0.7047(9) 0.8672(9) 0.4559(8) 0.0321(17) Uani 1 1 d . . .
H24 H 0.7728 0.8212 0.4527 0.039 Uiso 1 1 calc R . .
C25 C 0.6772(11) 0.9321(11) 0.3589(10) 0.035(2) Uani 1 1 d . . .
H25 H 0.7261 0.9295 0.2869 0.042 Uiso 1 1 calc R . .
C26 C 0.5792(9) 1.0020(10) 0.3628(8) 0.0358(19) Uani 1 1 d . . .
H26 H 0.5652 1.0482 0.2944 0.043 Uiso 1 1 calc R . .
C27 C 0.5030(11) 1.0058(11) 0.4626(9) 0.034(2) Uani 1 1 d . . .
H27 H 0.4355 1.0524 0.4644 0.041 Uiso 1 1 calc R . .
C28 C 0.5287(9) 0.9383(9) 0.5614(8) 0.0282(16) Uani 1 1 d . . .
C29 C 0.5011(11) 0.3184(12) 0.7121(9) 0.0242(15) Uani 1 1 d . . .
C30 C 0.6347(9) 0.3097(9) 0.7822(8) 0.0259(16) Uani 1 1 d . . .
C31 C 0.7802(10) 0.2480(9) 0.9011(8) 0.0312(18) Uani 1 1 d . . .
C32 C 0.8455(12) 0.1897(11) 0.9884(9) 0.044(2) Uani 1 1 d . . .
H32 H 0.7838 0.1277 1.0401 0.053 Uiso 1 1 calc R . .
C33 C 1.0010(11) 0.2253(11) 0.9964(9) 0.049(2) Uani 1 1 d . . .
H33 H 1.0474 0.1882 1.0564 0.058 Uiso 1 1 calc R . .
C34 C 1.0959(10) 0.3143(11) 0.9200(9) 0.047(2) Uani 1 1 d . . .
H34 H 1.2027 0.3331 0.9271 0.056 Uiso 1 1 calc R . .
C35 C 1.0347(9) 0.3740(10) 0.8352(10) 0.041(2) Uani 1 1 d . . .
H35 H 1.0975 0.4359 0.7839 0.049 Uiso 1 1 calc R . .
C36 C 0.8783(9) 0.3407(9) 0.8272(8) 0.0311(17) Uani 1 1 d . . .
C37 C 0.3572(10) 0.3949(11) 0.6071(9) 0.0295(19) Uani 1 1 d . . .
C38 C 0.2966(10) 0.4776(10) 0.5422(9) 0.037(2) Uani 1 1 d . . .
H38 H 0.3639 0.5800 0.5348 0.045 Uiso 1 1 calc R . .
C39 C 0.1355(11) 0.4020(10) 0.4904(10) 0.046(2) Uani 1 1 d . . .
H39 H 0.0910 0.4529 0.4445 0.055 Uiso 1 1 calc R . .
C40 C 0.0364(9) 0.2550(10) 0.5030(10) 0.042(2) Uani 1 1 d . . .
H40 H -0.0749 0.2092 0.4690 0.050 Uiso 1 1 calc R . .
C41 C 0.0949(9) 0.1729(9) 0.5636(9) 0.0345(19) Uani 1 1 d . . .
H41 H 0.0270 0.0697 0.5688 0.041 Uiso 1 1 calc R . .
C42 C 0.2587(9) 0.2478(8) 0.6170(8) 0.0243(15) Uani 1 1 d . . .
N1 N 0.8457(7) 0.6260(8) 0.5970(6) 0.0275(14) Uani 1 1 d . . .
N2 N 1.0914(7) 0.8031(8) 0.5769(6) 0.0270(15) Uani 1 1 d . . .
N3 N 1.1774(7) 0.9304(7) 0.8505(6) 0.0253(13) Uani 1 1 d . . .
N4 N 0.9218(7) 0.7843(7) 0.8642(6) 0.0254(14) Uani 1 1 d . . .
N5 N 0.6304(7) 0.8130(7) 0.6698(7) 0.0285(14) Uani 1 1 d . . .
N6 N 0.4642(7) 0.9187(7) 0.6722(6) 0.0253(14) Uani 1 1 d . . .
N7 N 0.4007(8) 0.8026(9) 0.9224(7) 0.0304(17) Uani 1 1 d . . .
H7A H 0.3465 0.8534 0.9126 0.036 Uiso 1 1 calc R . .
N8 N 0.5696(7) 0.7102(7) 0.8878(7) 0.0293(14) Uani 1 1 d . . .
N9 N 0.5141(7) 0.4435(7) 0.6704(7) 0.0276(14) Uani 1 1 d . . .
N10 N 0.3513(7) 0.1963(7) 0.6822(6) 0.0287(14) Uani 1 1 d . . .
N11 N 0.6273(8) 0.2294(8) 0.8697(7) 0.0293(16) Uani 1 1 d . . .
N12 N 0.7820(7) 0.3799(7) 0.7535(6) 0.0271(14) Uani 1 1 d . . .
H12A H 0.8094 0.4389 0.6982 0.033 Uiso 1 1 calc R . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 N9 2.029(6) . ?
Zn1 N5 2.050(7) . ?
Zn1 N4 2.084(6) . ?
Zn1 N8 2.160(7) . ?
Zn1 N1 2.365(6) . ?
Zn2 N10 1.975(6) 1_665 ?
Zn2 N6 2.000(6) 1_655 ?
Zn2 N3 2.078(6) . ?
Zn2 N2 2.107(7) . ?
C1 N1 1.333(9) . ?
C1 N2 1.341(9) . ?
C1 C2 1.441(11) . ?
C2 N3 1.329(10) . ?
C2 N4 1.340(10) . ?
C3 C4 1.391(11) . ?
C3 N4 1.388(10) . ?
C3 C8 1.400(11) . ?
C4 C5 1.374(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(13) . ?
C5 H5 0.9500 . ?
C6 C7 1.378(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(11) . ?
C7 H7 0.9500 . ?
C8 N3 1.393(10) . ?
C9 N2 1.384(10) . ?
C9 C10 1.404(11) . ?
C9 C14 1.405(10) . ?
C10 C11 1.372(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.430(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.383(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.396(12) . ?
C13 H13 0.9500 . ?
C14 N1 1.388(10) . ?
C15 N5 1.343(10) . ?
C15 N6 1.355(10) . ?
C15 C16 1.449(12) . ?
C16 N8 1.313(10) . ?
C16 N7 1.357(10) . ?
C17 C18 1.375(12) . ?
C17 N7 1.387(11) . ?
C17 C22 1.411(12) . ?
C18 C19 1.377(13) . ?
C18 H18 0.9500 . ?
C19 C20 1.411(13) . ?
C19 H19 0.9500 . ?
C20 C21 1.377(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(12) . ?
C21 H21 0.9500 . ?
C22 N8 1.396(11) . ?
C23 N5 1.389(11) . ?
C23 C24 1.396(11) . ?
C23 C28 1.408(11) . ?
C24 C25 1.365(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.397(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.369(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.394(13) . ?
C27 H27 0.9500 . ?
C28 N6 1.404(10) . ?
C29 N9 1.343(11) . ?
C29 N10 1.357(12) . ?
C29 C30 1.453(12) . ?
C30 N11 1.313(10) . ?
C30 N12 1.373(9) . ?
C31 N11 1.390(10) . ?
C31 C32 1.400(12) . ?
C31 C36 1.416(12) . ?
C32 C33 1.365(14) . ?
C32 H32 0.9500 . ?
C33 C34 1.407(14) . ?
C33 H33 0.9500 . ?
C34 C35 1.370(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.378(11) . ?
C35 H35 0.9500 . ?
C36 N12 1.371(10) . ?
C37 C42 1.367(12) . ?
C37 N9 1.402(10) . ?
C37 C38 1.417(12) . ?
C38 C39 1.374(12) . ?
C38 H38 0.9500 . ?
C39 C40 1.377(13) . ?
C39 H39 0.9500 . ?
C40 C41 1.375(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.399(11) . ?
C41 H41 0.9500 . ?
C42 N10 1.384(10) . ?
N6 Zn2 2.000(6) 1_455 ?
N7 H7A 0.8800 . ?
N10 Zn2 1.975(6) 1_445 ?
N12 H12A 0.8800 . ?

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
N9 Zn1 N5 108.3(2) . . ?
N9 Zn1 N4 139.5(2) . . ?
N5 Zn1 N4 112.2(2) . . ?
N9 Zn1 N8 91.2(3) . . ?
N5 Zn1 N8 80.4(2) . . ?
N4 Zn1 N8 97.3(2) . . ?
N9 Zn1 N1 91.7(2) . . ?
N5 Zn1 N1 100.8(2) . . ?
N4 Zn1 N1 79.0(2) . . ?
N8 Zn1 N1 176.3(3) . . ?
N10 Zn2 N6 115.4(2) 1_665 1_655 ?
N10 Zn2 N3 112.4(3) 1_665 . ?
N6 Zn2 N3 122.1(2) 1_655 . ?
N10 Zn2 N2 114.2(3) 1_665 . ?
N6 Zn2 N2 102.7(3) 1_655 . ?
N3 Zn2 N2 85.2(2) . . ?
N1 C1 N2 118.2(7) . . ?
N1 C1 C2 121.0(6) . . ?
N2 C1 C2 120.8(6) . . ?
N3 C2 N4 116.5(7) . . ?
N3 C2 C1 121.9(6) . . ?
N4 C2 C1 121.6(7) . . ?
C4 C3 N4 130.7(7) . . ?
C4 C3 C8 119.9(8) . . ?
N4 C3 C8 109.4(7) . . ?
C5 C4 C3 118.6(8) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 120.8(8) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C7 C6 C5 121.7(9) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C6 C7 C8 117.2(8) . . ?
C6 C7 H7 121.4 . . ?
C8 C7 H7 121.4 . . ?
C7 C8 N3 131.1(7) . . ?
C7 C8 C3 121.9(7) . . ?
N3 C8 C3 107.1(7) . . ?
N2 C9 C10 131.4(7) . . ?
N2 C9 C14 107.8(6) . . ?
C10 C9 C14 120.8(7) . . ?
C11 C10 C9 117.7(8) . . ?
C11 C10 H10 121.2 . . ?
C9 C10 H10 121.2 . . ?
C10 C11 C12 121.7(8) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C13 C12 C11 120.4(8) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C12 C13 C14 117.9(8) . . ?
C12 C13 H13 121.0 . . ?
C14 C13 H13 121.0 . . ?
N1 C14 C13 128.9(7) . . ?
N1 C14 C9 109.6(7) . . ?
C13 C14 C9 121.4(7) . . ?
N5 C15 N6 114.4(7) . . ?
N5 C15 C16 117.3(7) . . ?
N6 C15 C16 128.1(7) . . ?
N8 C16 N7 113.1(8) . . ?
N8 C16 C15 119.8(7) . . ?
N7 C16 C15 127.1(7) . . ?
C18 C17 N7 132.4(8) . . ?
C18 C17 C22 122.4(8) . . ?
N7 C17 C22 105.1(7) . . ?
C17 C18 C19 117.2(9) . . ?
C17 C18 H18 121.4 . . ?
C19 C18 H18 121.4 . . ?
C18 C19 C20 121.0(8) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 H19 119.5 . . ?
C21 C20 C19 121.6(7) . . ?
C21 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C20 C21 C22 117.8(8) . . ?
C20 C21 H21 121.1 . . ?
C22 C21 H21 121.1 . . ?
C21 C22 N8 130.9(8) . . ?
C21 C22 C17 120.0(8) . . ?
N8 C22 C17 109.0(7) . . ?
N5 C23 C24 132.2(7) . . ?
N5 C23 C28 108.1(7) . . ?
C24 C23 C28 119.7(8) . . ?
C25 C24 C23 118.1(8) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
C24 C25 C26 121.7(8) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C27 C26 C25 121.6(9) . . ?
C27 C26 H26 119.2 . . ?
C25 C26 H26 119.2 . . ?
C26 C27 C28 117.2(9) . . ?
C26 C27 H27 121.4 . . ?
C28 C27 H27 121.4 . . ?
C27 C28 N6 130.6(7) . . ?
C27 C28 C23 121.6(8) . . ?
N6 C28 C23 107.8(7) . . ?
N9 C29 N10 114.7(8) . . ?
N9 C29 C30 123.9(8) . . ?
N10 C29 C30 121.3(8) . . ?
N11 C30 N12 113.8(7) . . ?
N11 C30 C29 125.4(7) . . ?
N12 C30 C29 120.7(7) . . ?
N11 C31 C32 130.8(8) . . ?
N11 C31 C36 110.5(7) . . ?
C32 C31 C36 118.7(8) . . ?
C33 C32 C31 117.5(9) . . ?
C33 C32 H32 121.2 . . ?
C31 C32 H32 121.2 . . ?
C32 C33 C34 123.2(8) . . ?
C32 C33 H33 118.4 . . ?
C34 C33 H33 118.4 . . ?
C35 C34 C33 120.1(8) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 117.4(9) . . ?
C34 C35 H35 121.3 . . ?
C36 C35 H35 121.3 . . ?
N12 C36 C35 132.2(8) . . ?
N12 C36 C31 104.6(6) . . ?
C35 C36 C31 123.1(8) . . ?
C42 C37 N9 110.1(7) . . ?
C42 C37 C38 121.0(8) . . ?
N9 C37 C38 128.9(8) . . ?
C39 C38 C37 116.6(8) . . ?
C39 C38 H38 121.7 . . ?
C37 C38 H38 121.7 . . ?
C38 C39 C40 122.2(9) . . ?
C38 C39 H39 118.9 . . ?
C40 C39 H39 118.9 . . ?
C41 C40 C39 121.5(8) . . ?
C41 C40 H40 119.2 . . ?
C39 C40 H40 119.2 . . ?
C40 C41 C42 117.1(7) . . ?
C40 C41 H41 121.4 . . ?
C42 C41 H41 121.4 . . ?
C37 C42 N10 107.8(7) . . ?
C37 C42 C41 121.6(7) . . ?
N10 C42 C41 130.6(7) . . ?
C1 N1 C14 101.6(6) . . ?
C1 N1 Zn1 100.0(5) . . ?
C14 N1 Zn1 149.0(5) . . ?
C1 N2 C9 102.8(6) . . ?
C1 N2 Zn2 105.5(5) . . ?
C9 N2 Zn2 151.2(5) . . ?
C2 N3 C8 104.3(6) . . ?
C2 N3 Zn2 106.0(5) . . ?
C8 N3 Zn2 148.4(5) . . ?
C2 N4 C3 102.8(6) . . ?
C2 N4 Zn1 109.3(5) . . ?
C3 N4 Zn1 144.6(5) . . ?
C15 N5 C23 105.3(7) . . ?
C15 N5 Zn1 112.7(6) . . ?
C23 N5 Zn1 140.6(5) . . ?
C15 N6 C28 104.5(6) . . ?
C15 N6 Zn2 135.0(5) . 1_455 ?
C28 N6 Zn2 120.5(5) . 1_455 ?
C16 N7 C17 107.2(7) . . ?
C16 N7 H7A 126.4 . . ?
C17 N7 H7A 126.4 . . ?
C16 N8 C22 105.5(7) . . ?
C16 N8 Zn1 108.9(5) . . ?
C22 N8 Zn1 143.7(5) . . ?
C29 N9 C37 102.7(7) . . ?
C29 N9 Zn1 125.4(6) . . ?
C37 N9 Zn1 128.0(5) . . ?
C29 N10 C42 104.6(7) . . ?
C29 N10 Zn2 123.6(6) . 1_445 ?
C42 N10 Zn2 131.0(5) . 1_445 ?
C30 N11 C31 104.1(7) . . ?
C36 N12 C30 107.0(6) . . ?
C36 N12 H12A 126.5 . . ?
C30 N12 H12A 126.5 . . ?

_diffrn_measured_fraction_theta_max 0.946
_diffrn_reflns_theta_full        25.64
_diffrn_measured_fraction_theta_full 0.946
_refine_diff_density_max         0.633
_refine_diff_density_min         -0.717
_refine_diff_density_rms         0.155
