# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 1543279'
_audit_update_record             
;
2017-04-10 deposited with the CCDC.	2020-01-13 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         'C34 H26 N2 O4 Zn'
_chemical_formula_sum            'C34 H26 N2 O4 Zn'
_chemical_formula_weight         591.96

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'
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                   9.2972(19)
_cell_length_b                   10.943(2)
_cell_length_c                   14.517(3)
_cell_angle_alpha                97.63(3)
_cell_angle_beta                 104.80(3)
_cell_angle_gamma                98.88(3)
_cell_volume                     1387.7(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    30453
_cell_measurement_theta_min      3.046
_cell_measurement_theta_max      27.55

_exptl_crystal_description       plate
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_F_000             612
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.928
_shelx_estimated_absorpt_T_min   0.897
_shelx_estimated_absorpt_T_max   0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25374
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.951
_diffrn_reflns_theta_max         27.544
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             6316
_reflns_number_gt                5447
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    CRYSTALMAKER
_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)+(0.0488P)²+0.8106P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6316
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0368
_refine_ls_wR_factor_ref         0.0991
_refine_ls_wR_factor_gt          0.0928
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_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 0.33815(3) 0.45204(2) 0.87828(2) 0.03370(9) Uani 1 1 d . . . . .
N1 N 0.4352(2) 0.56258(16) 0.78733(12) 0.0371(4) Uani 1 1 d . . . . .
N2 N 1.24255(18) 1.35937(15) -0.02348(11) 0.0319(3) Uani 1 1 d . . . . .
O1 O 0.0879(3) 0.47641(19) 0.79327(14) 0.0745(6) Uani 1 1 d . . . . .
O2 O 0.1976(2) 0.32857(16) 0.75232(12) 0.0530(4) Uani 1 1 d . . . . .
O3 O 0.50575(18) 0.34965(16) 0.88688(12) 0.0494(4) Uani 1 1 d . . . . .
O4 O 0.6507(2) 0.37731(14) 1.03844(12) 0.0506(4) Uani 1 1 d . . . . .
C1 C 0.5312(3) 0.5267(2) 0.74025(17) 0.0446(5) Uani 1 1 d . . . . .
H1 H 0.5642 0.4511 0.7496 0.053 Uiso 1 1 calc R U . . .
C2 C 0.5849(3) 0.5949(2) 0.67826(18) 0.0499(6) Uani 1 1 d . . . . .
H2 H 0.6517 0.5648 0.6461 0.060 Uiso 1 1 calc R U . . .
C3 C 0.5403(2) 0.7081(2) 0.66337(15) 0.0395(4) Uani 1 1 d . . . . .
C4 C 0.4403(3) 0.7446(2) 0.71228(17) 0.0467(5) Uani 1 1 d . . . . .
H4 H 0.4058 0.8200 0.7047 0.056 Uiso 1 1 calc R U . . .
C5 C 0.3911(3) 0.6705(2) 0.77233(17) 0.0484(5) Uani 1 1 d . . . . .
H5 H 0.3226 0.6975 0.8045 0.058 Uiso 1 1 calc R U . . .
C6 C 0.5979(3) 0.7868(2) 0.59994(16) 0.0447(5) Uani 1 1 d . . . . .
C7 C 0.6258(4) 0.7319(3) 0.5162(2) 0.0716(9) Uani 1 1 d . . . . .
H7 H 0.6044 0.6438 0.4981 0.086 Uiso 1 1 calc R U . . .
C8 C 0.6853(4) 0.8062(3) 0.4587(2) 0.0755(9) Uani 1 1 d . . . . .
H8 H 0.7013 0.7674 0.4014 0.091 Uiso 1 1 calc R U . . .
C9 C 0.7215(3) 0.9361(2) 0.48423(18) 0.0530(6) Uani 1 1 d . . . . .
C10 C 0.6877(4) 0.9896(3) 0.56553(19) 0.0652(8) Uani 1 1 d . . . . .
H10 H 0.7061 1.0776 0.5827 0.078 Uiso 1 1 calc R U . . .
C11 C 0.6274(3) 0.9165(2) 0.62224(19) 0.0599(7) Uani 1 1 d . . . . .
H11 H 0.6059 0.9560 0.6774 0.072 Uiso 1 1 calc R U . . .
C12 C 0.7928(3) 1.0175(2) 0.42809(18) 0.0552(6) Uani 1 1 d . . . . .
H12 H 0.8051 1.1050 0.4466 0.066 Uiso 1 1 calc R U . . .
C13 C 0.8400(3) 0.9763(3) 0.35447(19) 0.0555(6) Uani 1 1 d . . . . .
H13 H 0.8227 0.8885 0.3361 0.067 Uiso 1 1 calc R U . . .
C14 C 0.9166(2) 1.0496(2) 0.29664(17) 0.0451(5) Uani 1 1 d . . . . .
C15 C 0.9574(3) 0.9834(2) 0.22269(19) 0.0502(6) Uani 1 1 d . . . . .
H15 H 0.9384 0.8951 0.2130 0.060 Uiso 1 1 calc R U . . .
C16 C 1.0253(3) 1.0440(2) 0.16286(17) 0.0443(5) Uani 1 1 d . . . . .
H16 H 1.0529 0.9966 0.1135 0.053 Uiso 1 1 calc R U . . .
C17 C 1.0538(2) 1.17541(18) 0.17464(14) 0.0335(4) Uani 1 1 d . . . . .
C18 C 1.0139(2) 1.2426(2) 0.24927(15) 0.0411(5) Uani 1 1 d . . . . .
H18 H 1.0317 1.3309 0.2584 0.049 Uiso 1 1 calc R U . . .
C19 C 0.9483(3) 1.1813(2) 0.31029(16) 0.0466(5) Uani 1 1 d . . . . .
H19 H 0.9248 1.2284 0.3615 0.056 Uiso 1 1 calc R U . . .
C20 C 1.1199(2) 1.23876(17) 0.10690(13) 0.0298(4) Uani 1 1 d . . . . .
C21 C 1.2118(3) 1.18567(19) 0.05826(17) 0.0423(5) Uani 1 1 d . . . . .
H21 H 1.2354 1.1073 0.0689 0.051 Uiso 1 1 calc R U . . .
C22 C 1.2686(3) 1.24699(19) -0.00556(17) 0.0427(5) Uani 1 1 d . . . . .
H22 H 1.3290 1.2077 -0.0383 0.051 Uiso 1 1 calc R U . . .
C23 C 1.1548(2) 1.41107(19) 0.02328(15) 0.0380(4) Uani 1 1 d . . . . .
H23 H 1.1348 1.4902 0.0119 0.046 Uiso 1 1 calc R U . . .
C24 C 1.0914(2) 1.35583(19) 0.08738(16) 0.0389(4) Uani 1 1 d . . . . .
H24 H 1.0293 1.3966 0.1178 0.047 Uiso 1 1 calc R U . . .
C25 C -0.1407(3) 0.4518(3) 0.50734(18) 0.0556(6) Uani 1 1 d . . . . .
H25 H -0.2383 0.4195 0.5112 0.067 Uiso 1 1 calc R U . . .
C26 C -0.0166(3) 0.4231(2) 0.56877(15) 0.0458(5) Uani 1 1 d . . . . .
C27 C 0.1247(3) 0.4727(3) 0.55999(19) 0.0587(7) Uani 1 1 d . . . . .
H27 H 0.2118 0.4545 0.6009 0.070 Uiso 1 1 calc R U . . .
C28 C -0.0348(3) 0.3384(3) 0.64160(19) 0.0610(7) Uani 1 1 d . . . . .
H28A H -0.1343 0.3371 0.6532 0.073 Uiso 1 1 calc R U . . .
H28B H -0.0305 0.2523 0.6149 0.073 Uiso 1 1 calc R U . . .
C29 C 0.0883(3) 0.3834(2) 0.73665(15) 0.0448(5) Uani 1 1 d . . . . .
C30 C 0.4478(3) 0.01729(19) 0.90626(17) 0.0455(5) Uani 1 1 d . . . . .
H30 H 0.4110 0.0280 0.8418 0.055 Uiso 1 1 calc R U . . .
C31 C 0.5802(2) 0.09456(18) 0.96504(17) 0.0407(5) Uani 1 1 d . . . . .
C32 C 0.6316(3) 0.07560(19) 1.05942(17) 0.0445(5) Uani 1 1 d . . . . .
H32 H 0.7218 0.1266 1.1008 0.053 Uiso 1 1 calc R U . . .
C33 C 0.6615(3) 0.2017(2) 0.9294(2) 0.0490(5) Uani 1 1 d . . . . .
H33A H 0.6443 0.1801 0.8592 0.059 Uiso 1 1 calc R U . . .
H33B H 0.7709 0.2160 0.9605 0.059 Uiso 1 1 calc R U . . .
C34 C 0.6015(2) 0.32136(17) 0.95354(15) 0.0359(4) 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
Zn1 O3 2.0436(16) . ?
Zn1 O4 2.0582(17) 2_667 ?
Zn1 O2 2.111(2) . ?
Zn1 N2 2.1460(16) 1_446 ?
Zn1 N1 2.1717(17) . ?
Zn1 O1 2.412(3) . ?
Zn1 C29 2.607(3) . ?
N1 C1 1.329(3) . ?
N1 C5 1.336(3) . ?
N2 C23 1.331(3) . ?
N2 C22 1.336(3) . ?
N2 Zn1 2.1460(16) 1_664 ?
O1 C29 1.221(3) . ?
O2 C29 1.245(3) . ?
O3 C34 1.245(3) . ?
O4 C34 1.236(3) . ?
O4 Zn1 2.0582(17) 2_667 ?
C1 C2 1.382(3) . ?
C1 H1 0.9400 . ?
C2 C3 1.392(3) . ?
C2 H2 0.9400 . ?
C3 C4 1.380(3) . ?
C3 C6 1.482(3) . ?
C4 C5 1.380(3) . ?
C4 H4 0.9400 . ?
C5 H5 0.9400 . ?
C6 C11 1.381(3) . ?
C6 C7 1.386(3) . ?
C7 C8 1.394(3) . ?
C7 H7 0.9400 . ?
C8 C9 1.386(4) . ?
C8 H8 0.9400 . ?
C9 C10 1.377(4) . ?
C9 C12 1.478(3) . ?
C10 C11 1.379(3) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 C13 1.308(4) . ?
C12 H12 0.9400 . ?
C13 C14 1.471(3) . ?
C13 H13 0.9400 . ?
C14 C15 1.381(4) . ?
C14 C19 1.401(3) . ?
C15 C16 1.377(3) . ?
C15 H15 0.9400 . ?
C16 C17 1.400(3) . ?
C16 H16 0.9400 . ?
C17 C18 1.389(3) . ?
C17 C20 1.478(2) . ?
C18 C19 1.383(3) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C20 C21 1.385(3) . ?
C20 C24 1.398(3) . ?
C21 C22 1.376(3) . ?
C21 H21 0.9400 . ?
C22 H22 0.9400 . ?
C23 C24 1.378(3) . ?
C23 H23 0.9400 . ?
C24 H24 0.9400 . ?
C25 C26 1.373(3) . ?
C25 C27 1.383(4) 2_566 ?
C25 H25 0.9400 . ?
C26 C27 1.385(4) . ?
C26 C28 1.520(3) . ?
C27 C25 1.383(4) 2_566 ?
C27 H27 0.9400 . ?
C28 C29 1.515(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C30 C31 1.382(3) . ?
C30 C32 1.385(3) 2_657 ?
C30 H30 0.9400 . ?
C31 C32 1.386(3) . ?
C31 C33 1.517(3) . ?
C32 C30 1.385(3) 2_657 ?
C32 H32 0.9400 . ?
C33 C34 1.533(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?

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 127.26(8) . 2_667 ?
O3 Zn1 O2 91.74(8) . . ?
O4 Zn1 O2 140.44(7) 2_667 . ?
O3 Zn1 N2 93.80(6) . 1_446 ?
O4 Zn1 N2 89.27(6) 2_667 1_446 ?
O2 Zn1 N2 95.01(7) . 1_446 ?
O3 Zn1 N1 89.59(7) . . ?
O4 Zn1 N1 85.30(7) 2_667 . ?
O2 Zn1 N1 89.11(7) . . ?
N2 Zn1 N1 174.57(6) 1_446 . ?
O3 Zn1 O1 147.71(7) . . ?
O4 Zn1 O1 84.86(8) 2_667 . ?
O2 Zn1 O1 55.97(7) . . ?
N2 Zn1 O1 89.34(7) 1_446 . ?
N1 Zn1 O1 90.06(7) . . ?
O3 Zn1 C29 119.91(8) . . ?
O4 Zn1 C29 112.40(8) 2_667 . ?
O2 Zn1 C29 28.18(7) . . ?
N2 Zn1 C29 93.37(7) 1_446 . ?
N1 Zn1 C29 88.60(7) . . ?
O1 Zn1 C29 27.82(7) . . ?
C1 N1 C5 116.61(17) . . ?
C1 N1 Zn1 124.16(14) . . ?
C5 N1 Zn1 119.13(14) . . ?
C23 N2 C22 116.37(16) . . ?
C23 N2 Zn1 121.82(12) . 1_664 ?
C22 N2 Zn1 121.81(13) . 1_664 ?
C29 O1 Zn1 85.01(17) . . ?
C29 O2 Zn1 98.66(15) . . ?
C34 O3 Zn1 135.65(15) . . ?
C34 O4 Zn1 140.43(15) . 2_667 ?
N1 C1 C2 123.3(2) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C1 C2 C3 120.2(2) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C4 C3 C2 116.21(18) . . ?
C4 C3 C6 121.4(2) . . ?
C2 C3 C6 122.4(2) . . ?
C3 C4 C5 120.0(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 123.7(2) . . ?
N1 C5 H5 118.2 . . ?
C4 C5 H5 118.2 . . ?
C11 C6 C7 117.6(2) . . ?
C11 C6 C3 121.6(2) . . ?
C7 C6 C3 120.7(2) . . ?
C6 C7 C8 120.5(3) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C9 C8 C7 121.4(3) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C10 C9 C8 117.4(2) . . ?
C10 C9 C12 119.7(2) . . ?
C8 C9 C12 122.9(2) . . ?
C9 C10 C11 121.3(3) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C10 C11 C6 121.6(2) . . ?
C10 C11 H11 119.2 . . ?
C6 C11 H11 119.2 . . ?
C13 C12 C9 124.6(3) . . ?
C13 C12 H12 117.7 . . ?
C9 C12 H12 117.7 . . ?
C12 C13 C14 128.4(3) . . ?
C12 C13 H13 115.8 . . ?
C14 C13 H13 115.8 . . ?
C15 C14 C19 118.06(19) . . ?
C15 C14 C13 117.3(2) . . ?
C19 C14 C13 124.6(2) . . ?
C16 C15 C14 121.4(2) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 120.8(2) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 118.08(18) . . ?
C18 C17 C20 121.77(17) . . ?
C16 C17 C20 120.11(18) . . ?
C19 C18 C17 120.9(2) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 C14 120.8(2) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C21 C20 C24 116.09(16) . . ?
C21 C20 C17 122.35(17) . . ?
C24 C20 C17 121.56(17) . . ?
C22 C21 C20 120.37(18) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
N2 C22 C21 123.53(18) . . ?
N2 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
N2 C23 C24 124.07(18) . . ?
N2 C23 H23 118.0 . . ?
C24 C23 H23 118.0 . . ?
C23 C24 C20 119.55(18) . . ?
C23 C24 H24 120.2 . . ?
C20 C24 H24 120.2 . . ?
C26 C25 C27 121.2(2) . 2_566 ?
C26 C25 H25 119.4 . . ?
C27 C25 H25 119.4 2_566 . ?
C25 C26 C27 117.1(2) . . ?
C25 C26 C28 121.0(2) . . ?
C27 C26 C28 121.8(2) . . ?
C25 C27 C26 121.7(2) 2_566 . ?
C25 C27 H27 119.2 2_566 . ?
C26 C27 H27 119.2 . . ?
C29 C28 C26 111.3(2) . . ?
C29 C28 H28A 109.4 . . ?
C26 C28 H28A 109.4 . . ?
C29 C28 H28B 109.4 . . ?
C26 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
O1 C29 O2 120.2(2) . . ?
O1 C29 C28 121.7(3) . . ?
O2 C29 C28 117.8(2) . . ?
O1 C29 Zn1 67.17(16) . . ?
O2 C29 Zn1 53.16(12) . . ?
C28 C29 Zn1 168.05(19) . . ?
C31 C30 C32 121.2(2) . 2_657 ?
C31 C30 H30 119.4 . . ?
C32 C30 H30 119.4 2_657 . ?
C30 C31 C32 117.8(2) . . ?
C30 C31 C33 121.1(2) . . ?
C32 C31 C33 121.0(2) . . ?
C30 C32 C31 121.0(2) 2_657 . ?
C30 C32 H32 119.5 2_657 . ?
C31 C32 H32 119.5 . . ?
C31 C33 C34 109.44(17) . . ?
C31 C33 H33A 109.8 . . ?
C34 C33 H33A 109.8 . . ?
C31 C33 H33B 109.8 . . ?
C34 C33 H33B 109.8 . . ?
H33A C33 H33B 108.2 . . ?
O4 C34 O3 127.0(2) . . ?
O4 C34 C33 116.0(2) . . ?
O3 C34 C33 116.9(2) . . ?

_refine_diff_density_max         0.724
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.053

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1543280'
_audit_update_record             
;
2017-04-10 deposited with the CCDC.	2020-01-13 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         'C34 H26 N2 O4 Zn'
_chemical_formula_sum            'C34 H26 N2 O4 Zn'
_chemical_formula_weight         591.96

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'
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                   9.3272(19)
_cell_length_b                   11.065(2)
_cell_length_c                   14.204(3)
_cell_angle_alpha                94.76(3)
_cell_angle_beta                 106.97(3)
_cell_angle_gamma                98.35(3)
_cell_volume                     1375.0(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    26798
_cell_measurement_theta_min      3.046
_cell_measurement_theta_max      27.55

_exptl_crystal_description       plate
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_F_000             612
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.936
_shelx_estimated_absorpt_T_min   0.896
_shelx_estimated_absorpt_T_max   0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.894
_exptl_absorpt_correction_T_max  0.963
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23515
_diffrn_reflns_av_unetI/netI     0.0359
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.870
_diffrn_reflns_theta_max         27.582
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6311
_reflns_number_gt                4629
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    CRYSTALMAKER
_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)+(0.0451P)²+1.3926P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6311
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0486
_refine_ls_wR_factor_ref         0.1215
_refine_ls_wR_factor_gt          0.1086
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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 0.82035(4) 0.95055(3) 0.37929(3) 0.04357(12) Uani 1 1 d . . . . .
N1 N 0.7395(3) 0.8564(2) 0.48415(16) 0.0370(5) Uani 1 1 d . . . . .
N2 N -0.1076(3) 0.0559(2) 1.2739(2) 0.0508(7) Uani 1 1 d . . . . .
O1 O 0.5816(3) 0.9775(2) 0.30232(18) 0.0647(7) Uani 1 1 d . . . . .
O2 O 0.6650(3) 0.8197(2) 0.25230(18) 0.0604(6) Uani 1 1 d . . . . .
O3 O 0.9878(3) 0.8492(2) 0.38493(19) 0.0614(6) Uani 1 1 d . . . . .
O4 O 1.1508(3) 0.8808(2) 0.53721(19) 0.0637(6) Uani 1 1 d . . . . .
C1 C 0.7610(4) 0.7424(3) 0.4999(2) 0.0474(7) Uani 1 1 d . . . . .
H1 H 0.8180 0.7041 0.4655 0.057 Uiso 1 1 calc R U . . .
C2 C 0.7040(4) 0.6776(3) 0.5639(2) 0.0455(7) Uani 1 1 d . . . . .
H2 H 0.7241 0.5978 0.5730 0.055 Uiso 1 1 calc R U . . .
C3 C 0.6173(3) 0.7299(2) 0.61478(18) 0.0325(5) Uani 1 1 d . . . . .
C4 C 0.5927(3) 0.8479(3) 0.5968(2) 0.0435(7) Uani 1 1 d . . . . .
H4 H 0.5335 0.8877 0.6284 0.052 Uiso 1 1 calc R U . . .
C5 C 0.6553(3) 0.9063(3) 0.5327(2) 0.0424(7) Uani 1 1 d . . . . .
H5 H 0.6377 0.9864 0.5225 0.051 Uiso 1 1 calc R U . . .
C6 C 0.5563(3) 0.6644(2) 0.68566(19) 0.0337(6) Uani 1 1 d . . . . .
C7 C 0.5207(3) 0.5362(3) 0.6736(2) 0.0419(6) Uani 1 1 d . . . . .
H7 H 0.5271 0.4904 0.6167 0.050 Uiso 1 1 calc R U . . .
C8 C 0.4761(4) 0.4754(3) 0.7449(2) 0.0452(7) Uani 1 1 d . . . . .
H8 H 0.4502 0.3890 0.7344 0.054 Uiso 1 1 calc R U . . .
C9 C 0.4687(3) 0.5394(3) 0.8314(2) 0.0431(7) Uani 1 1 d . . . . .
C10 C 0.4956(3) 0.6672(3) 0.8400(2) 0.0428(7) Uani 1 1 d . . . . .
H10 H 0.4853 0.7131 0.8957 0.051 Uiso 1 1 calc R U . . .
C11 C 0.5375(3) 0.7287(3) 0.7681(2) 0.0387(6) Uani 1 1 d . . . . .
H11 H 0.5535 0.8153 0.7755 0.046 Uiso 1 1 calc R U . . .
C12 C 0.4590(3) 0.4700(3) 0.9182(2) 0.0450(7) Uani 1 1 d . . . . .
H12 H 0.4122 0.3826 0.8935 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3849(3) 0.5218(3) 0.9931(2) 0.0454(7) Uani 1 1 d . . . . .
H13 H 0.3646 0.6054 0.9808 0.054 Uiso 1 1 calc R U . . .
C14 C 0.2465(3) 0.4437(3) 1.0081(2) 0.0443(7) Uani 1 1 d . . . . .
C15 C 0.1881(4) 0.3233(3) 0.9660(2) 0.0536(8) Uani 1 1 d . . . . .
H15 H 0.2108 0.2925 0.9094 0.064 Uiso 1 1 calc R U . . .
C16 C 0.0956(4) 0.2462(3) 1.0062(2) 0.0511(8) Uani 1 1 d . . . . .
H16 H 0.0584 0.1639 0.9770 0.061 Uiso 1 1 calc R U . . .
C17 C 0.0583(3) 0.2895(3) 1.0884(2) 0.0433(7) Uani 1 1 d . . . . .
C18 C 0.1003(3) 0.4145(3) 1.1220(2) 0.0467(7) Uani 1 1 d . . . . .
H18 H 0.0664 0.4484 1.1728 0.056 Uiso 1 1 calc R U . . .
C19 C 0.1918(3) 0.4899(3) 1.0816(2) 0.0475(7) Uani 1 1 d . . . . .
H19 H 0.2174 0.5747 1.1046 0.057 Uiso 1 1 calc R U . . .
C20 C -0.0095(3) 0.2056(3) 1.1464(2) 0.0453(7) Uani 1 1 d . . . . .
C21 C 0.0426(4) 0.0959(3) 1.1658(3) 0.0537(8) Uani 1 1 d . . . . .
H21 H 0.1119 0.0698 1.1355 0.064 Uiso 1 1 calc R U . . .
C22 C -0.0074(4) 0.0253(3) 1.2298(3) 0.0534(8) Uani 1 1 d . . . . .
H22 H 0.0309 -0.0477 1.2428 0.064 Uiso 1 1 calc R U . . .
C23 C -0.1612(4) 0.1592(3) 1.2531(3) 0.0576(9) Uani 1 1 d . . . . .
H23 H -0.2339 0.1812 1.2822 0.069 Uiso 1 1 calc R U . . .
C24 C -0.1154(4) 0.2357(3) 1.1911(3) 0.0549(8) Uani 1 1 d . . . . .
H24 H -0.1560 0.3080 1.1794 0.066 Uiso 1 1 calc R U . . .
C25 C 0.5994(5) 0.9327(4) 0.0501(3) 0.0782(12) Uani 1 1 d . . . . .
H25 H 0.6699 0.8866 0.0845 0.094 Uiso 1 1 calc R U . . .
C26 C 0.4635(4) 0.9309(3) 0.0707(2) 0.0492(7) Uani 1 1 d . . . . .
C27 C 0.3661(4) 0.9994(4) 0.0196(3) 0.0689(11) Uani 1 1 d . . . . .
H27 H 0.2727 1.0005 0.0321 0.083 Uiso 1 1 calc R U . . .
C28 C 0.4280(4) 0.8573(4) 0.1491(3) 0.0644(9) Uani 1 1 d . . . . .
H28A H 0.4056 0.7690 0.1245 0.077 Uiso 1 1 calc R U . . .
H28B H 0.3384 0.8798 0.1640 0.077 Uiso 1 1 calc R U . . .
C29 C 0.5647(4) 0.8846(3) 0.2423(2) 0.0510(8) Uani 1 1 d . . . . .
C30 C 0.9475(4) 0.5215(3) 0.4035(3) 0.0583(9) Uani 1 1 d . . . . .
H30 H 0.9102 0.5347 0.3369 0.070 Uiso 1 1 calc R U . . .
C31 C 1.0755(4) 0.5982(3) 0.4657(3) 0.0524(8) Uani 1 1 d . . . . .
C32 C 1.1276(4) 0.5750(3) 0.5629(3) 0.0591(9) Uani 1 1 d . . . . .
H32 H 1.2154 0.6255 0.6069 0.071 Uiso 1 1 calc R U . . .
C33 C 1.1537(4) 0.7074(3) 0.4302(3) 0.0655(10) Uani 1 1 d . . . . .
H33A H 1.1355 0.6904 0.3584 0.079 Uiso 1 1 calc R U . . .
H33B H 1.2638 0.7201 0.4631 0.079 Uiso 1 1 calc R U . . .
C34 C 1.0931(4) 0.8237(3) 0.4532(3) 0.0473(8) 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
Zn1 O3 2.038(2) . ?
Zn1 O4 2.065(3) 2_776 ?
Zn1 N1 2.135(2) . ?
Zn1 N2 2.168(2) 1_664 ?
Zn1 O2 2.210(3) . ?
Zn1 O1 2.251(3) . ?
Zn1 C29 2.560(4) . ?
N1 C1 1.332(3) . ?
N1 C5 1.333(3) . ?
N2 C22 1.333(4) . ?
N2 C23 1.335(4) . ?
N2 Zn1 2.168(2) 1_446 ?
O1 C29 1.240(4) . ?
O2 C29 1.243(4) . ?
O3 C34 1.247(4) . ?
O4 C34 1.230(4) . ?
O4 Zn1 2.065(2) 2_776 ?
C1 C2 1.380(4) . ?
C1 H1 0.9400 . ?
C2 C3 1.386(4) . ?
C2 H2 0.9400 . ?
C3 C4 1.390(4) . ?
C3 C6 1.483(3) . ?
C4 C5 1.372(4) . ?
C4 H4 0.9400 . ?
C5 H5 0.9400 . ?
C6 C11 1.388(4) . ?
C6 C7 1.393(4) . ?
C7 C8 1.388(4) . ?
C7 H7 0.9400 . ?
C8 C9 1.392(4) . ?
C8 H8 0.9400 . ?
C9 C10 1.388(4) . ?
C9 C12 1.523(4) . ?
C10 C11 1.389(3) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 C13 1.544(4) . ?
C12 C13 1.608(4) 2_667 ?
C12 H12 0.9900 . ?
C13 C14 1.525(4) . ?
C13 C12 1.608(4) 2_667 ?
C13 H13 0.9900 . ?
C14 C15 1.377(5) . ?
C14 C19 1.381(4) . ?
C15 C16 1.397(4) . ?
C15 H15 0.9400 . ?
C16 C17 1.380(4) . ?
C16 H16 0.9400 . ?
C17 C18 1.386(4) . ?
C17 C20 1.484(3) . ?
C18 C19 1.383(4) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C20 C24 1.385(4) . ?
C20 C21 1.391(4) . ?
C21 C22 1.384(4) . ?
C21 H21 0.9400 . ?
C22 H22 0.9400 . ?
C23 C24 1.383(4) . ?
C23 H23 0.9400 . ?
C24 H24 0.9400 . ?
C25 C27 1.374(5) 2_675 ?
C25 C26 1.379(5) . ?
C25 H25 0.9400 . ?
C26 C27 1.353(5) . ?
C26 C28 1.517(5) . ?
C27 C25 1.374(5) 2_675 ?
C27 H27 0.9400 . ?
C28 C29 1.519(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C30 C31 1.375(5) . ?
C30 C32 1.386(5) 2_766 ?
C30 H30 0.9400 . ?
C31 C32 1.384(5) . ?
C31 C33 1.519(4) . ?
C32 C30 1.386(5) 2_766 ?
C32 H32 0.9400 . ?
C33 C34 1.527(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?

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 124.88(11) . 2_776 ?
O3 Zn1 N1 93.86(9) . . ?
O4 Zn1 N1 91.56(9) 2_776 . ?
O3 Zn1 N2 90.16(10) . 1_664 ?
O4 Zn1 N2 85.45(10) 2_776 1_664 ?
N1 Zn1 N2 175.90(9) . 1_664 ?
O3 Zn1 O2 89.91(10) . . ?
O4 Zn1 O2 144.59(11) 2_776 . ?
N1 Zn1 O2 92.51(9) . . ?
N2 Zn1 O2 88.32(10) 1_664 . ?
O3 Zn1 O1 147.81(10) . . ?
O4 Zn1 O1 86.93(10) 2_776 . ?
N1 Zn1 O1 89.61(9) . . ?
N2 Zn1 O1 87.43(10) 1_664 . ?
O2 Zn1 O1 57.95(9) . . ?
O3 Zn1 C29 118.85(11) . . ?
O4 Zn1 C29 115.62(11) 2_776 . ?
N1 Zn1 C29 92.60(10) . . ?
N2 Zn1 C29 86.18(11) 1_664 . ?
O2 Zn1 C29 29.05(9) . . ?
O1 Zn1 C29 28.96(9) . . ?
C1 N1 C5 116.3(2) . . ?
C1 N1 Zn1 122.42(18) . . ?
C5 N1 Zn1 121.13(17) . . ?
C22 N2 C23 117.0(2) . . ?
C22 N2 Zn1 123.5(2) . 1_446 ?
C23 N2 Zn1 119.43(19) . 1_446 ?
C29 O1 Zn1 89.5(2) . . ?
C29 O2 Zn1 91.3(2) . . ?
C34 O3 Zn1 134.4(2) . . ?
C34 O4 Zn1 143.5(2) . 2_776 ?
N1 C1 C2 123.5(3) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 120.1(3) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 C4 116.2(2) . . ?
C2 C3 C6 121.8(2) . . ?
C4 C3 C6 121.9(2) . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 124.0(2) . . ?
N1 C5 H5 118.0 . . ?
C4 C5 H5 118.0 . . ?
C11 C6 C7 117.8(2) . . ?
C11 C6 C3 121.0(2) . . ?
C7 C6 C3 121.2(2) . . ?
C8 C7 C6 120.7(3) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 121.6(3) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C10 C9 C8 117.2(2) . . ?
C10 C9 C12 122.5(3) . . ?
C8 C9 C12 119.5(3) . . ?
C9 C10 C11 121.4(3) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C6 C11 C10 121.0(3) . . ?
C6 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C9 C12 C13 119.3(3) . . ?
C9 C12 C13 116.6(2) . 2_667 ?
C13 C12 C13 89.8(2) . 2_667 ?
C9 C12 H12 109.9 . . ?
C13 C12 H12 109.9 . . ?
C13 C12 H12 109.9 2_667 . ?
C14 C13 C12 119.4(3) . . ?
C14 C13 C12 114.5(2) . 2_667 ?
C12 C13 C12 90.2(2) . 2_667 ?
C14 C13 H13 110.4 . . ?
C12 C13 H13 110.4 . . ?
C12 C13 H13 110.4 2_667 . ?
C15 C14 C19 117.2(3) . . ?
C15 C14 C13 124.8(3) . . ?
C19 C14 C13 117.1(3) . . ?
C14 C15 C16 121.0(3) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C17 C16 C15 120.8(3) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 117.7(2) . . ?
C16 C17 C20 122.2(3) . . ?
C18 C17 C20 119.8(3) . . ?
C19 C18 C17 120.5(3) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C14 C19 C18 121.7(3) . . ?
C14 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
C24 C20 C21 116.5(3) . . ?
C24 C20 C17 123.0(3) . . ?
C21 C20 C17 120.2(3) . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
N2 C22 C21 123.0(3) . . ?
N2 C22 H22 118.5 . . ?
C21 C22 H22 118.5 . . ?
N2 C23 C24 123.5(3) . . ?
N2 C23 H23 118.3 . . ?
C24 C23 H23 118.3 . . ?
C23 C24 C20 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C20 C24 H24 120.1 . . ?
C27 C25 C26 121.4(3) 2_675 . ?
C27 C25 H25 119.3 2_675 . ?
C26 C25 H25 119.3 . . ?
C27 C26 C25 117.1(3) . . ?
C27 C26 C28 122.0(3) . . ?
C25 C26 C28 120.8(3) . . ?
C26 C27 C25 121.5(3) . 2_675 ?
C26 C27 H27 119.3 . . ?
C25 C27 H27 119.3 2_675 . ?
C26 C28 C29 108.9(3) . . ?
C26 C28 H28A 109.9 . . ?
C29 C28 H28A 109.9 . . ?
C26 C28 H28B 109.9 . . ?
C29 C28 H28B 109.9 . . ?
H28A C28 H28B 108.3 . . ?
O1 C29 O2 121.0(3) . . ?
O1 C29 C28 119.6(3) . . ?
O2 C29 C28 119.0(3) . . ?
O1 C29 Zn1 61.5(2) . . ?
O2 C29 Zn1 59.63(19) . . ?
C28 C29 Zn1 169.4(2) . . ?
C31 C30 C32 121.3(3) . 2_766 ?
C31 C30 H30 119.3 . . ?
C32 C30 H30 119.3 2_766 . ?
C30 C31 C32 117.6(3) . . ?
C30 C31 C33 121.3(4) . . ?
C32 C31 C33 121.0(3) . . ?
C31 C32 C30 121.1(3) . 2_766 ?
C31 C32 H32 119.5 . . ?
C30 C32 H32 119.5 2_766 . ?
C31 C33 C34 110.4(3) . . ?
C31 C33 H33A 109.6 . . ?
C34 C33 H33A 109.6 . . ?
C31 C33 H33B 109.6 . . ?
C34 C33 H33B 109.6 . . ?
H33A C33 H33B 108.1 . . ?
O4 C34 O3 127.0(3) . . ?
O4 C34 C33 117.0(3) . . ?
O3 C34 C33 116.1(3) . . ?

_refine_diff_density_max         0.736
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.065

####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1543281'
_audit_update_record             
;
2017-04-10 deposited with the CCDC.	2020-01-13 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         'C34 H26 N2 O4 Zn'
_chemical_formula_sum            'C34 H26 N2 O4 Zn'
_chemical_formula_weight         591.96

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'
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                   9.1552(18)
_cell_length_b                   10.954(2)
_cell_length_c                   14.582(3)
_cell_angle_alpha                97.65(3)
_cell_angle_beta                 104.66(3)
_cell_angle_gamma                98.55(3)
_cell_volume                     1376.6(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    12319
_cell_measurement_theta_min      3.046
_cell_measurement_theta_max      27.55

_exptl_crystal_description       plate
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_F_000             612
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.935
_shelx_estimated_absorpt_T_min   0.896
_shelx_estimated_absorpt_T_max   0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.894
_exptl_absorpt_correction_T_max  0.963
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9634
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.467
_diffrn_reflns_theta_max         26.250
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5361
_reflns_number_gt                4197
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    CRYSTALMAKER
_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)+(0.0768P)²+0.5697P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5361
_refine_ls_number_parameters     370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1460
_refine_ls_wR_factor_gt          0.1309
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_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_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 0.66012(5) 0.54627(4) 0.12303(3) 0.03678(15) Uani 1 1 d . . . . .
N1 N 0.5640(3) 0.4372(2) 0.21388(19) 0.0301(6) Uani 1 1 d . . . . .
N2 N -0.2434(3) -0.3623(2) 1.02563(18) 0.0257(5) Uani 1 1 d . . . . .
O1 O 0.9113(4) 0.5227(2) 0.20838(19) 0.0526(8) Uani 1 1 d . . . . .
O2 O 0.7997(3) 0.6739(2) 0.24850(17) 0.0397(6) Uani 1 1 d . . . . .
O3 O 0.6485(3) 0.3753(2) 0.04002(17) 0.0389(6) Uani 1 1 d . . . . .
O4 O 0.5132(3) 0.3524(2) -0.11330(17) 0.0367(5) Uani 1 1 d . . . . .
C1 C 0.4672(4) 0.4735(3) 0.2620(2) 0.0362(8) Uani 1 1 d . . . . .
H1 H 0.4340 0.5494 0.2534 0.043 Uiso 1 1 calc R U . . .
C2 C 0.4133(4) 0.4052(3) 0.3236(3) 0.0370(8) Uani 1 1 d . . . . .
H2 H 0.3464 0.4357 0.3565 0.044 Uiso 1 1 calc R U . . .
C3 C 0.4578(4) 0.2906(3) 0.3371(2) 0.0318(7) Uani 1 1 d . . . . .
C4 C 0.5600(5) 0.2540(3) 0.2879(2) 0.0375(8) Uani 1 1 d . . . . .
H4 H 0.5956 0.1787 0.2953 0.045 Uiso 1 1 calc R U . . .
C5 C 0.6092(5) 0.3287(3) 0.2280(3) 0.0371(8) Uani 1 1 d . . . . .
H5 H 0.6783 0.3018 0.1954 0.045 Uiso 1 1 calc R U . . .
C6 C 0.4011(4) 0.2122(3) 0.4009(2) 0.0363(8) Uani 1 1 d . . . . .
C7 C 0.3725(6) 0.2665(4) 0.4843(3) 0.0526(11) Uani 1 1 d . . . . .
H7 H 0.3937 0.3543 0.5024 0.063 Uiso 1 1 calc R U . . .
C8 C 0.3127(6) 0.1926(4) 0.5416(3) 0.0533(11) Uani 1 1 d . . . . .
H8 H 0.2962 0.2314 0.5986 0.064 Uiso 1 1 calc R U . . .
C9 C 0.2770(5) 0.0628(4) 0.5165(3) 0.0405(8) Uani 1 1 d . . . . .
C10 C 0.3111(5) 0.0085(3) 0.4341(3) 0.0466(10) Uani 1 1 d . . . . .
H10 H 0.2928 -0.0794 0.4170 0.056 Uiso 1 1 calc R U . . .
C11 C 0.3714(5) 0.0817(3) 0.3772(3) 0.0441(9) Uani 1 1 d . . . . .
H11 H 0.3927 0.0429 0.3219 0.053 Uiso 1 1 calc R U . . .
C12 C 0.2054(5) -0.0185(4) 0.5722(3) 0.0411(8) Uani 1 1 d . . . . .
H12 H 0.1925 -0.1058 0.5534 0.049 Uiso 1 1 calc R U . . .
C13 C 0.1577(5) 0.0232(4) 0.6471(3) 0.0420(9) Uani 1 1 d . . . . .
H13 H 0.1756 0.1109 0.6656 0.050 Uiso 1 1 calc R U . . .
C14 C 0.0809(4) -0.0496(3) 0.7046(3) 0.0355(8) Uani 1 1 d . . . . .
C15 C 0.0396(4) 0.0165(3) 0.7795(3) 0.0387(8) Uani 1 1 d . . . . .
H15 H 0.0591 0.1046 0.7897 0.046 Uiso 1 1 calc R U . . .
C16 C -0.0294(4) -0.0444(3) 0.8392(3) 0.0359(8) Uani 1 1 d . . . . .
H16 H -0.0577 0.0027 0.8885 0.043 Uiso 1 1 calc R U . . .
C17 C -0.0575(4) -0.1762(3) 0.8269(2) 0.0286(7) Uani 1 1 d . . . . .
C18 C -0.0163(4) -0.2432(3) 0.7515(2) 0.0329(7) Uani 1 1 d . . . . .
H18 H -0.0335 -0.3313 0.7422 0.039 Uiso 1 1 calc R U . . .
C19 C 0.0492(4) -0.1818(3) 0.6908(2) 0.0355(8) Uani 1 1 d . . . . .
H19 H 0.0731 -0.2287 0.6395 0.043 Uiso 1 1 calc R U . . .
C20 C -0.1228(4) -0.2407(3) 0.8944(2) 0.0261(6) Uani 1 1 d . . . . .
C21 C -0.2129(4) -0.1858(3) 0.9457(3) 0.0349(8) Uani 1 1 d . . . . .
H21 H -0.2362 -0.1069 0.9365 0.042 Uiso 1 1 calc R U . . .
C22 C -0.2680(4) -0.2480(3) 1.0104(3) 0.0338(8) Uani 1 1 d . . . . .
H22 H -0.3258 -0.2078 1.0456 0.041 Uiso 1 1 calc R U . . .
C23 C -0.1571(4) -0.4139(3) 0.9765(2) 0.0308(7) Uani 1 1 d . . . . .
H23 H -0.1374 -0.4936 0.9865 0.037 Uiso 1 1 calc R U . . .
C24 C -0.0946(4) -0.3592(3) 0.9122(2) 0.0309(7) Uani 1 1 d . . . . .
H24 H -0.0336 -0.4006 0.8804 0.037 Uiso 1 1 calc R U . . .
C25 C 1.1438(5) 0.5496(4) 0.4945(3) 0.0427(9) Uani 1 1 d . . . . .
H25 H 1.2430 0.5831 0.4919 0.051 Uiso 1 1 calc R U . . .
C26 C 1.0170(4) 0.5767(3) 0.4315(2) 0.0362(8) Uani 1 1 d . . . . .
C27 C 0.8733(5) 0.5261(4) 0.4388(3) 0.0439(9) Uani 1 1 d . . . . .
H27 H 0.7852 0.5436 0.3973 0.053 Uiso 1 1 calc R U . . .
C28 C 1.0342(5) 0.6614(4) 0.3587(3) 0.0449(9) Uani 1 1 d . . . . .
H28A H 1.0293 0.7471 0.3853 0.054 Uiso 1 1 calc R U . . .
H28B H 1.1352 0.6628 0.3469 0.054 Uiso 1 1 calc R U . . .
C29 C 0.9104(5) 0.6174(3) 0.2645(2) 0.0360(8) Uani 1 1 d . . . . .
C30 C 0.6327(4) 0.0757(3) 0.0604(3) 0.0356(8) Uani 1 1 d . . . . .
H30 H 0.7229 0.1267 0.1024 0.043 Uiso 1 1 calc R U . . .
C31 C 0.5834(4) 0.0939(3) -0.0339(3) 0.0337(7) Uani 1 1 d . . . . .
C32 C 0.4504(5) 0.0177(3) -0.0938(3) 0.0371(8) Uani 1 1 d . . . . .
H32 H 0.4153 0.0289 -0.1579 0.045 Uiso 1 1 calc R U . . .
C33 C 0.6670(5) 0.2016(3) -0.0684(3) 0.0397(8) Uani 1 1 d . . . . .
H33A H 0.6520 0.1802 -0.1380 0.048 Uiso 1 1 calc R U . . .
H33B H 0.7775 0.2159 -0.0363 0.048 Uiso 1 1 calc R U . . .
C34 C 0.6045(4) 0.3210(3) -0.0455(2) 0.0296(7) 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
Zn1 O4 2.055(3) 2_665 ?
Zn1 O3 2.063(2) . ?
Zn1 O2 2.130(3) . ?
Zn1 N2 2.133(2) 1_664 ?
Zn1 N1 2.158(3) . ?
Zn1 O1 2.391(3) . ?
Zn1 C29 2.600(4) . ?
N1 C1 1.334(4) . ?
N1 C5 1.340(4) . ?
N2 C23 1.330(4) . ?
N2 C22 1.342(4) . ?
N2 Zn1 2.133(2) 1_446 ?
O1 C29 1.235(4) . ?
O2 C29 1.253(5) . ?
O3 C34 1.245(4) . ?
O4 C34 1.246(4) . ?
O4 Zn1 2.055(3) 2_665 ?
C1 C2 1.380(4) . ?
C1 H1 0.9400 . ?
C2 C3 1.399(5) . ?
C2 H2 0.9400 . ?
C3 C4 1.387(5) . ?
C3 C6 1.482(4) . ?
C4 C5 1.384(4) . ?
C4 H4 0.9400 . ?
C5 H5 0.9400 . ?
C6 C7 1.384(5) . ?
C6 C11 1.393(5) . ?
C7 C8 1.390(5) . ?
C7 H7 0.9400 . ?
C8 C9 1.388(6) . ?
C8 H8 0.9400 . ?
C9 C10 1.395(5) . ?
C9 C12 1.474(4) . ?
C10 C11 1.383(5) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 C13 1.326(5) . ?
C12 H12 0.9400 . ?
C13 C14 1.464(4) . ?
C13 H13 0.9400 . ?
C14 C15 1.393(5) . ?
C14 C19 1.411(5) . ?
C15 C16 1.382(4) . ?
C15 H15 0.9400 . ?
C16 C17 1.408(5) . ?
C16 H16 0.9400 . ?
C17 C18 1.403(5) . ?
C17 C20 1.476(4) . ?
C18 C19 1.380(4) . ?
C18 H18 0.9400 . ?
C19 H19 0.9400 . ?
C20 C21 1.394(5) . ?
C20 C24 1.405(4) . ?
C21 C22 1.384(4) . ?
C21 H21 0.9400 . ?
C22 H22 0.9400 . ?
C23 C24 1.372(4) . ?
C23 H23 0.9400 . ?
C24 H24 0.9400 . ?
C25 C27 1.382(5) 2_766 ?
C25 C26 1.383(5) . ?
C25 H25 0.9400 . ?
C26 C27 1.386(5) . ?
C26 C28 1.522(5) . ?
C27 C25 1.382(5) 2_766 ?
C27 H27 0.9400 . ?
C28 C29 1.509(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C30 C31 1.386(5) . ?
C30 C32 1.396(5) 2_655 ?
C30 H30 0.9400 . ?
C31 C32 1.382(5) . ?
C31 C33 1.521(5) . ?
C32 C30 1.397(5) 2_655 ?
C32 H32 0.9400 . ?
C33 C34 1.534(5) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?

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
O4 Zn1 O3 126.29(11) 2_665 . ?
O4 Zn1 O2 91.05(11) 2_665 . ?
O3 Zn1 O2 142.11(11) . . ?
O4 Zn1 N2 94.03(10) 2_665 1_664 ?
O3 Zn1 N2 89.33(9) . 1_664 ?
O2 Zn1 N2 94.71(10) . 1_664 ?
O4 Zn1 N1 89.62(10) 2_665 . ?
O3 Zn1 N1 85.28(10) . . ?
O2 Zn1 N1 89.21(10) . . ?
N2 Zn1 N1 174.58(10) 1_664 . ?
O4 Zn1 O1 147.84(10) 2_665 . ?
O3 Zn1 O1 85.63(11) . . ?
O2 Zn1 O1 56.79(10) . . ?
N2 Zn1 O1 89.66(10) 1_664 . ?
N1 Zn1 O1 89.36(11) . . ?
O4 Zn1 C29 119.59(11) 2_665 . ?
O3 Zn1 C29 113.65(12) . . ?
O2 Zn1 C29 28.57(10) . . ?
N2 Zn1 C29 93.46(10) 1_664 . ?
N1 Zn1 C29 88.20(11) . . ?
O1 Zn1 C29 28.26(10) . . ?
C1 N1 C5 116.7(3) . . ?
C1 N1 Zn1 124.3(2) . . ?
C5 N1 Zn1 118.9(2) . . ?
C23 N2 C22 116.2(3) . . ?
C23 N2 Zn1 122.8(2) . 1_446 ?
C22 N2 Zn1 121.0(2) . 1_446 ?
C29 O1 Zn1 85.3(2) . . ?
C29 O2 Zn1 97.0(2) . . ?
C34 O3 Zn1 140.5(2) . . ?
C34 O4 Zn1 134.5(2) . 2_665 ?
N1 C1 C2 123.4(3) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C1 C2 C3 120.1(3) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C4 C3 C2 116.3(3) . . ?
C4 C3 C6 121.2(3) . . ?
C2 C3 C6 122.5(3) . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 123.7(3) . . ?
N1 C5 H5 118.1 . . ?
C4 C5 H5 118.1 . . ?
C7 C6 C11 118.2(3) . . ?
C7 C6 C3 121.0(3) . . ?
C11 C6 C3 120.9(3) . . ?
C6 C7 C8 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C9 C8 C7 121.4(4) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 117.5(3) . . ?
C8 C9 C12 123.1(3) . . ?
C10 C9 C12 119.4(3) . . ?
C11 C10 C9 121.2(3) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C10 C11 C6 120.9(3) . . ?
C10 C11 H11 119.5 . . ?
C6 C11 H11 119.5 . . ?
C13 C12 C9 124.4(4) . . ?
C13 C12 H12 117.8 . . ?
C9 C12 H12 117.8 . . ?
C12 C13 C14 128.4(4) . . ?
C12 C13 H13 115.8 . . ?
C14 C13 H13 115.8 . . ?
C15 C14 C19 117.8(3) . . ?
C15 C14 C13 117.6(3) . . ?
C19 C14 C13 124.5(3) . . ?
C16 C15 C14 121.6(3) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 120.5(3) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 118.1(3) . . ?
C18 C17 C20 121.5(3) . . ?
C16 C17 C20 120.4(3) . . ?
C19 C18 C17 121.1(3) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C14 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C21 C20 C24 116.2(3) . . ?
C21 C20 C17 121.7(3) . . ?
C24 C20 C17 122.0(3) . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
N2 C22 C21 123.6(3) . . ?
N2 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
N2 C23 C24 124.7(3) . . ?
N2 C23 H23 117.6 . . ?
C24 C23 H23 117.6 . . ?
C23 C24 C20 119.4(3) . . ?
C23 C24 H24 120.3 . . ?
C20 C24 H24 120.3 . . ?
C27 C25 C26 121.0(4) 2_766 . ?
C27 C25 H25 119.5 2_766 . ?
C26 C25 H25 119.5 . . ?
C25 C26 C27 117.3(3) . . ?
C25 C26 C28 121.5(4) . . ?
C27 C26 C28 121.1(3) . . ?
C25 C27 C26 121.7(4) 2_766 . ?
C25 C27 H27 119.2 2_766 . ?
C26 C27 H27 119.2 . . ?
C29 C28 C26 111.8(3) . . ?
C29 C28 H28A 109.3 . . ?
C26 C28 H28A 109.3 . . ?
C29 C28 H28B 109.3 . . ?
C26 C28 H28B 109.3 . . ?
H28A C28 H28B 107.9 . . ?
O1 C29 O2 120.7(4) . . ?
O1 C29 C28 121.2(4) . . ?
O2 C29 C28 117.8(3) . . ?
O1 C29 Zn1 66.4(2) . . ?
O2 C29 Zn1 54.39(19) . . ?
C28 C29 Zn1 168.7(3) . . ?
C31 C30 C32 120.6(3) . 2_655 ?
C31 C30 H30 119.7 . . ?
C32 C30 H30 119.7 2_655 . ?
C32 C31 C30 118.4(3) . . ?
C32 C31 C33 120.7(3) . . ?
C30 C31 C33 120.7(3) . . ?
C31 C32 C30 121.0(3) . 2_655 ?
C31 C32 H32 119.5 . . ?
C30 C32 H32 119.5 2_655 . ?
C31 C33 C34 109.7(3) . . ?
C31 C33 H33A 109.7 . . ?
C34 C33 H33A 109.7 . . ?
C31 C33 H33B 109.7 . . ?
C34 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
O3 C34 O4 126.6(3) . . ?
O3 C34 C33 116.1(3) . . ?
O4 C34 C33 117.3(3) . . ?

_refine_diff_density_max         0.604
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.081

