# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_q147-toumingy
_database_code_depnum_ccdc_archive 'CCDC 2456047'
loop_
_audit_author_name
_audit_author_address
Yang
;luoyang normal university
China
;
_audit_update_record             
;
2025-06-03 deposited with the CCDC.	2025-10-02 downloaded from the CCDC.
;
_audit_creation_date             2020-11-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H21 O11 Zn2, C13 H10 N'
_chemical_formula_sum            'C35 H31 N O11 Zn2'
_chemical_formula_weight         772.35
_chemical_melting_point          ?
_chemical_oxdiff_formula         C1H1O1N1Zn1
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.7517(7)
_cell_length_b                   11.0322(16)
_cell_length_c                   29.181(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.395(6)
_cell_angle_gamma                90
_cell_volume                     3451.1(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3078
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0670
_cell_measurement_theta_min      3.9200
_shelx_estimated_absorpt_T_max   0.834
_shelx_estimated_absorpt_T_min   0.687
_exptl_absorpt_coefficient_mu    1.451
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50230
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.1342
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            16104
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.366
_diffrn_reflns_theta_min         3.355
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00  55.00   1.00   10.00    --  -13.49  19.00  90.00   94
  2  ω     -2.00  31.00   1.00   10.00    --   14.89  90.00-165.00   33
  3  ω     26.00  64.00   1.00   10.00    --   14.89  57.00-180.00   38
  4  ω     -9.00  54.00   1.00   10.00    --   14.89 -99.00 -30.00   63
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0450538000
_diffrn_orient_matrix_UB_12      0.0257856000
_diffrn_orient_matrix_UB_13      0.0161685000
_diffrn_orient_matrix_UB_21      0.0086075000
_diffrn_orient_matrix_UB_22      0.0485902000
_diffrn_orient_matrix_UB_23      -0.0153423000
_diffrn_orient_matrix_UB_31      -0.0476894000
_diffrn_orient_matrix_UB_32      0.0332286000
_diffrn_orient_matrix_UB_33      0.0099011000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4557
_reflns_number_total             7281
_reflns_odcompleteness_completeness 99.63
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.381
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         7281
_refine_ls_number_restraints     86
_refine_ls_R_factor_all          0.1513
_refine_ls_R_factor_gt           0.0989
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          1.001
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1022P)²+16.5019P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2340
_refine_ls_wR_factor_ref         0.2698
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C10-C11
 2.5 with sigma of 0.02
 O5-C10 = O5-C11
 2.2 with sigma of 0.02
 C9-C10 = C9-C11
 1.65 with sigma of 0.02
3. Rigid bond restraints
 C9, C10, C11, C20, C21, C22, O5
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4. Uiso/Uaniso restraints and constraints
C9 \\sim C10 \\sim C11 \\sim C20 \\sim C21 \\sim C22 \\sim O5: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C9) \\sim Ueq, Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(O5) \\sim Ueq:
with sigma of 0.005 and sigma for terminal atoms of 0.01
5.a Ternary CH refined with riding coordinates:
 C9(H9), C20(H20)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C6(H6), C13(H13), C15(H15), C17(H17), N1(H1), C24(H24),
 C25(H25), C26(H26), C27(H27), C29(H29), C31(H31), C32(H32), C33(H33), C34(H34)
5.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.64249(7) -0.04615(10) 0.50829(3) 0.0255(3) Uani 1 1 d . . . . .
Zn2 Zn 0.46482(7) -0.07954(10) 0.40969(3) 0.0264(3) Uani 1 1 d . . . . .
O1 O 0.6342(5) -0.0800(6) 0.38831(19) 0.0374(16) Uani 1 1 d . . . . .
O2 O 0.7451(5) -0.0759(7) 0.45622(18) 0.0376(16) Uani 1 1 d . . . . .
O3 O 1.2053(5) -0.0290(6) 0.45326(18) 0.0353(15) Uani 1 1 d . . . . .
O4 O 1.2885(5) -0.0573(8) 0.38615(19) 0.052(2) Uani 1 1 d . . . . .
O5 O 0.9492(8) -0.1548(11) 0.2723(3) 0.096(2) Uani 1 1 d D U . . .
O6 O 0.4567(8) -0.2574(7) 0.3923(2) 0.065(2) Uani 1 1 d . . . . .
O7 O 0.3660(6) -0.3372(7) 0.4516(2) 0.0506(18) Uani 1 1 d . . . . .
O8 O 0.3523(5) -0.7986(6) 0.4540(2) 0.0411(16) Uani 1 1 d . . . . .
O9 O 0.4841(6) -0.8879(7) 0.4082(3) 0.0516(18) Uani 1 1 d . . . . .
O10 O 0.5260(13) -0.5749(11) 0.2832(3) 0.124(5) Uani 1 1 d . . . . .
O11 O 0.4672(5) -0.0962(6) 0.47751(19) 0.0249(13) Uani 1 1 d . . . . .
C1 C 0.8505(7) -0.0949(9) 0.3888(3) 0.0287(19) Uani 1 1 d . . . . .
C2 C 0.9667(6) -0.0770(8) 0.4120(3) 0.0259(18) Uani 1 1 d . . . . .
H2 H 0.9731 -0.0622 0.4434 0.031 Uiso 1 1 calc R . . . .
C3 C 1.0732(7) -0.0811(10) 0.3881(3) 0.036(2) Uani 1 1 d . . . . .
C4 C 1.0639(7) -0.1080(12) 0.3420(3) 0.057(4) Uani 1 1 d . . . . .
H4 H 1.1353 -0.1093 0.3259 0.068 Uiso 1 1 calc R . . . .
C5 C 0.9482(8) -0.1333(14) 0.3193(3) 0.068(4) Uani 1 1 d . . . . .
C6 C 0.8415(7) -0.1238(12) 0.3426(3) 0.055(3) Uani 1 1 d . . . . .
H6 H 0.7637 -0.1367 0.3271 0.066 Uiso 1 1 calc R . . . .
C7 C 0.7336(7) -0.0830(8) 0.4135(3) 0.0272(18) Uani 1 1 d . . . . .
C8 C 1.1996(6) -0.0524(9) 0.4120(3) 0.031(2) Uani 1 1 d . . . . .
C9 C 0.8327(15) -0.1535(16) 0.2446(5) 0.107(3) Uani 1 1 d D U . . .
H9 H 0.7640 -0.1033 0.2541 0.128 Uiso 1 1 calc R . . . .
C10 C 0.8720(15) -0.1425(18) 0.1961(4) 0.124(4) Uani 1 1 d D U . . .
H10A H 0.9131 -0.2157 0.1878 0.186 Uiso 1 1 calc GR . . . .
H10B H 0.9281 -0.0752 0.1943 0.186 Uiso 1 1 calc GR . . . .
H10C H 0.7997 -0.1295 0.1753 0.186 Uiso 1 1 calc GR . . . .
C11 C 0.8237(17) -0.3035(14) 0.2492(6) 0.141(4) Uani 1 1 d D U . . .
H11A H 0.8824 -0.3309 0.2735 0.211 Uiso 1 1 calc GR . . . .
H11B H 0.8425 -0.3404 0.2208 0.211 Uiso 1 1 calc GR . . . .
H11C H 0.7409 -0.3259 0.2561 0.211 Uiso 1 1 calc GR . . . .
C12 C 0.4317(7) -0.4683(9) 0.3926(3) 0.033(2) Uani 1 1 d . . . . .
C13 C 0.4101(7) -0.5728(9) 0.4156(3) 0.032(2) Uani 1 1 d . . . . .
H13 H 0.3797 -0.5700 0.4445 0.039 Uiso 1 1 calc R . . . .
C14 C 0.4336(7) -0.6820(9) 0.3957(3) 0.034(2) Uani 1 1 d . . . . .
C15 C 0.4768(9) -0.6881(11) 0.3511(3) 0.049(3) Uani 1 1 d . . . . .
H15 H 0.4945 -0.7624 0.3380 0.059 Uiso 1 1 calc R . . . .
C16 C 0.4921(11) -0.5806(11) 0.3273(3) 0.054(3) Uani 1 1 d . . . . .
C17 C 0.4720(10) -0.4727(11) 0.3486(3) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.4858 -0.4006 0.3332 0.066 Uiso 1 1 calc R . . . .
C18 C 0.4153(8) -0.3448(10) 0.4143(3) 0.042(2) Uani 1 1 d . . . . .
C19 C 0.4220(8) -0.7996(10) 0.4208(3) 0.040(2) Uani 1 1 d . . . . .
C20 C 0.573(2) -0.659(3) 0.2619(8) 0.164(6) Uani 1 1 d . U . . .
H20 H 0.5285 -0.7358 0.2644 0.196 Uiso 1 1 calc R . . . .
C21 C 0.565(2) -0.605(2) 0.2088(7) 0.160(6) Uani 1 1 d . U . . .
H21A H 0.5676 -0.5178 0.2098 0.240 Uiso 1 1 calc GR . . . .
H21B H 0.4877 -0.6302 0.1928 0.240 Uiso 1 1 calc GR . . . .
H21C H 0.6335 -0.6347 0.1931 0.240 Uiso 1 1 calc GR . . . .
C22 C 0.706(2) -0.667(3) 0.2775(8) 0.181(6) Uani 1 1 d . U . . .
H22A H 0.7156 -0.6638 0.3104 0.272 Uiso 1 1 calc GR . . . .
H22B H 0.7506 -0.6014 0.2649 0.272 Uiso 1 1 calc GR . . . .
H22C H 0.7390 -0.7428 0.2673 0.272 Uiso 1 1 calc GR . . . .
N1 N 0.8715(7) 0.3356(9) 0.5209(3) 0.051(2) Uani 1 1 d . . . . .
H1 H 0.7988 0.3399 0.5312 0.062 Uiso 1 1 calc R . . . .
C23 C 0.9737(10) 0.3700(11) 0.5493(4) 0.057(3) Uani 1 1 d . . . . .
C24 C 0.9594(14) 0.4089(14) 0.5936(5) 0.083(4) Uani 1 1 d . . . . .
H24 H 0.8806 0.4128 0.6047 0.100 Uiso 1 1 calc R . . . .
C25 C 1.0610(19) 0.4412(17) 0.6204(6) 0.110(6) Uani 1 1 d . . . . .
H25 H 1.0511 0.4694 0.6499 0.133 Uiso 1 1 calc R . . . .
C26 C 1.1833(18) 0.4337(18) 0.6052(7) 0.113(7) Uani 1 1 d . . . . .
H26 H 1.2526 0.4546 0.6246 0.136 Uiso 1 1 calc R . . . .
C27 C 1.1957(14) 0.3965(16) 0.5631(7) 0.096(5) Uani 1 1 d . . . . .
H27 H 1.2752 0.3940 0.5526 0.116 Uiso 1 1 calc R . . . .
C28 C 1.0934(10) 0.3601(13) 0.5331(5) 0.067(4) Uani 1 1 d . . . . .
C29 C 1.1030(9) 0.3176(11) 0.4882(5) 0.063(3) Uani 1 1 d . . . . .
H29 H 1.1811 0.3121 0.4767 0.076 Uiso 1 1 calc R . . . .
C30 C 0.9988(9) 0.2837(11) 0.4608(4) 0.053(3) Uani 1 1 d . . . . .
C31 C 1.0040(12) 0.2425(13) 0.4146(5) 0.076(4) Uani 1 1 d . . . . .
H31 H 1.0807 0.2391 0.4019 0.092 Uiso 1 1 calc R . . . .
C32 C 0.9019(13) 0.2090(14) 0.3894(4) 0.077(4) Uani 1 1 d . . . . .
H32 H 0.9074 0.1779 0.3600 0.092 Uiso 1 1 calc R . . . .
C33 C 0.7836(11) 0.2212(12) 0.4079(4) 0.069(4) Uani 1 1 d . . . . .
H33 H 0.7118 0.1999 0.3900 0.083 Uiso 1 1 calc R . . . .
C34 C 0.7735(9) 0.2633(11) 0.4511(4) 0.054(3) Uani 1 1 d . . . . .
H34 H 0.6956 0.2704 0.4627 0.065 Uiso 1 1 calc R . . . .
C35 C 0.8804(9) 0.2956(11) 0.4780(4) 0.049(3) Uani 1 1 d . . . . .
H11 H 0.440(6) -0.155(7) 0.480(2) -0.001(19) Uiso 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 Zn2 3.0669(13) 3_656 ?
Zn1 O2 1.973(5) . ?
Zn1 O3 2.084(5) 3_756 ?
Zn1 O8 2.034(7) 3_646 ?
Zn1 O11 2.026(6) 3_656 ?
Zn1 O11 2.098(6) . ?
Zn2 Zn1 3.0668(13) 3_656 ?
Zn2 O1 1.969(5) . ?
Zn2 O4 1.982(5) 1_455 ?
Zn2 O6 2.027(8) . ?
Zn2 O9 2.125(7) 1_565 ?
Zn2 O11 1.986(6) . ?
O1 C7 1.251(9) . ?
O2 C7 1.245(9) . ?
O3 Zn1 2.084(5) 3_756 ?
O3 C8 1.227(9) . ?
O4 Zn2 1.982(5) 1_655 ?
O4 C8 1.264(9) . ?
O5 C5 1.391(11) . ?
O5 C9 1.439(16) . ?
O6 C18 1.258(12) . ?
O7 C18 1.248(10) . ?
O8 Zn1 2.034(7) 3_646 ?
O8 C19 1.268(10) . ?
O9 Zn2 2.125(7) 1_545 ?
O9 C19 1.254(12) . ?
O10 C16 1.366(12) . ?
O10 C20 1.24(3) . ?
O11 Zn1 2.026(6) 3_656 ?
O11 H11 0.72(7) . ?
C1 C2 1.388(10) . ?
C1 C6 1.383(11) . ?
C1 C7 1.502(10) . ?
C2 H2 0.9300 . ?
C2 C3 1.387(10) . ?
C3 C4 1.372(12) . ?
C3 C8 1.514(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.392(12) . ?
C5 C6 1.381(11) . ?
C6 H6 0.9300 . ?
C9 H9 0.9800 . ?
C9 C10 1.513(14) . ?
C9 C11 1.664(15) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.363(13) . ?
C12 C17 1.387(12) . ?
C12 C18 1.519(13) . ?
C13 H13 0.9300 . ?
C13 C14 1.368(13) . ?
C14 C15 1.416(11) . ?
C14 C19 1.501(13) . ?
C15 H15 0.9300 . ?
C15 C16 1.390(14) . ?
C16 C17 1.367(15) . ?
C17 H17 0.9300 . ?
C20 H20 0.9800 . ?
C20 C21 1.66(3) . ?
C20 C22 1.47(3) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
N1 H1 0.8600 . ?
N1 C23 1.378(14) . ?
N1 C35 1.339(13) . ?
C23 C24 1.382(17) . ?
C23 C28 1.409(16) . ?
C24 H24 0.9300 . ?
C24 C25 1.34(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.42(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.31(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.412(19) . ?
C28 C29 1.402(17) . ?
C29 H29 0.9300 . ?
C29 C30 1.377(15) . ?
C30 C31 1.427(16) . ?
C30 C35 1.409(13) . ?
C31 H31 0.9300 . ?
C31 C32 1.327(18) . ?
C32 H32 0.9300 . ?
C32 C33 1.426(16) . ?
C33 H33 0.9300 . ?
C33 C34 1.355(15) . ?
C34 H34 0.9300 . ?
C34 C35 1.387(14) . ?

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
O2 Zn1 Zn2 160.5(2) . 3_656 ?
O2 Zn1 O3 91.0(2) . 3_756 ?
O2 Zn1 O8 106.4(3) . 3_646 ?
O2 Zn1 O11 130.9(3) . 3_656 ?
O2 Zn1 O11 99.4(2) . . ?
O3 Zn1 Zn2 74.15(15) 3_756 3_656 ?
O3 Zn1 O11 167.8(2) 3_756 . ?
O8 Zn1 Zn2 87.41(18) 3_646 3_656 ?
O8 Zn1 O3 93.2(3) 3_646 3_756 ?
O8 Zn1 O11 89.8(2) 3_646 . ?
O11 Zn1 Zn2 39.65(16) 3_656 3_656 ?
O11 Zn1 Zn2 94.24(15) . 3_656 ?
O11 Zn1 O3 91.5(2) 3_656 3_756 ?
O11 Zn1 O8 122.3(2) 3_656 3_646 ?
O11 Zn1 O11 76.9(3) 3_656 . ?
O1 Zn2 Zn1 131.35(18) . 3_656 ?
O1 Zn2 O4 140.7(2) . 1_455 ?
O1 Zn2 O6 86.6(3) . . ?
O1 Zn2 O9 84.4(3) . 1_565 ?
O1 Zn2 O11 111.9(2) . . ?
O4 Zn2 Zn1 78.90(18) 1_455 3_656 ?
O4 Zn2 O6 90.7(4) 1_455 . ?
O4 Zn2 O9 87.8(3) 1_455 1_565 ?
O4 Zn2 O11 107.2(2) 1_455 . ?
O6 Zn2 Zn1 128.4(2) . 3_656 ?
O6 Zn2 O9 163.8(3) . 1_565 ?
O9 Zn2 Zn1 67.02(19) 1_565 3_656 ?
O11 Zn2 Zn1 40.63(18) . 3_656 ?
O11 Zn2 O6 99.0(3) . . ?
O11 Zn2 O9 96.8(3) . 1_565 ?
C7 O1 Zn2 125.7(5) . . ?
C7 O2 Zn1 139.7(5) . . ?
C8 O3 Zn1 126.1(5) . 3_756 ?
C8 O4 Zn2 123.1(5) . 1_655 ?
C5 O5 C9 118.8(9) . . ?
C18 O6 Zn2 128.6(6) . . ?
C19 O8 Zn1 114.4(6) . 3_646 ?
C19 O9 Zn2 135.4(6) . 1_545 ?
C20 O10 C16 125.8(16) . . ?
Zn1 O11 Zn1 103.1(3) 3_656 . ?
Zn1 O11 H11 123(6) . . ?
Zn1 O11 H11 116(6) 3_656 . ?
Zn2 O11 Zn1 110.2(3) . . ?
Zn2 O11 Zn1 99.7(3) . 3_656 ?
Zn2 O11 H11 103(6) . . ?
C2 C1 C7 120.6(7) . . ?
C6 C1 C2 120.1(7) . . ?
C6 C1 C7 119.3(7) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 C1 119.8(7) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C8 120.5(7) . . ?
C4 C3 C2 119.9(7) . . ?
C4 C3 C8 119.5(7) . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.4(7) . . ?
C5 C4 H4 119.8 . . ?
O5 C5 C4 115.5(8) . . ?
C6 C5 O5 124.5(8) . . ?
C6 C5 C4 119.7(8) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 119.9(8) . . ?
C5 C6 H6 120.0 . . ?
O1 C7 C1 115.4(7) . . ?
O2 C7 O1 127.0(7) . . ?
O2 C7 C1 117.6(7) . . ?
O3 C8 O4 127.7(7) . . ?
O3 C8 C3 118.2(6) . . ?
O4 C8 C3 114.1(7) . . ?
O5 C9 H9 119.3 . . ?
O5 C9 C10 103.5(11) . . ?
O5 C9 C11 89.9(11) . . ?
C10 C9 H9 119.3 . . ?
C10 C9 C11 100.3(11) . . ?
C11 C9 H9 119.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C17 120.2(9) . . ?
C13 C12 C18 121.6(8) . . ?
C17 C12 C18 118.2(9) . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.5(8) . . ?
C14 C13 H13 120.3 . . ?
C13 C14 C15 121.0(9) . . ?
C13 C14 C19 121.9(8) . . ?
C15 C14 C19 117.0(9) . . ?
C14 C15 H15 120.8 . . ?
C16 C15 C14 118.5(10) . . ?
C16 C15 H15 120.8 . . ?
O10 C16 C15 124.0(10) . . ?
O10 C16 C17 116.8(10) . . ?
C17 C16 C15 119.2(9) . . ?
C12 C17 H17 119.3 . . ?
C16 C17 C12 121.5(10) . . ?
C16 C17 H17 119.3 . . ?
O6 C18 C12 114.6(8) . . ?
O7 C18 O6 125.7(10) . . ?
O7 C18 C12 119.7(9) . . ?
O8 C19 C14 116.3(9) . . ?
O9 C19 O8 126.2(9) . . ?
O9 C19 C14 117.5(8) . . ?
O10 C20 H20 112.9 . . ?
O10 C20 C21 102(2) . . ?
O10 C20 C22 108(2) . . ?
C21 C20 H20 112.9 . . ?
C22 C20 H20 112.9 . . ?
C22 C20 C21 107(2) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C23 N1 H1 118.6 . . ?
C35 N1 H1 118.6 . . ?
C35 N1 C23 122.8(9) . . ?
N1 C23 C24 120.5(11) . . ?
N1 C23 C28 118.9(11) . . ?
C24 C23 C28 120.6(12) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 C23 118.9(15) . . ?
C25 C24 H24 120.6 . . ?
C24 C25 H25 118.8 . . ?
C24 C25 C26 122.4(17) . . ?
C26 C25 H25 118.8 . . ?
C25 C26 H26 120.9 . . ?
C27 C26 C25 118.2(16) . . ?
C27 C26 H26 120.9 . . ?
C26 C27 H27 118.6 . . ?
C26 C27 C28 122.7(16) . . ?
C28 C27 H27 118.6 . . ?
C23 C28 C27 117.2(14) . . ?
C29 C28 C23 118.3(11) . . ?
C29 C28 C27 124.5(13) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 C28 121.2(10) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 C31 123.1(10) . . ?
C29 C30 C35 119.0(11) . . ?
C35 C30 C31 117.9(10) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 C30 121.5(11) . . ?
C32 C31 H31 119.3 . . ?
C31 C32 H32 120.4 . . ?
C31 C32 C33 119.2(12) . . ?
C33 C32 H32 120.4 . . ?
C32 C33 H33 119.3 . . ?
C34 C33 C32 121.5(11) . . ?
C34 C33 H33 119.3 . . ?
C33 C34 H34 120.3 . . ?
C33 C34 C35 119.4(10) . . ?
C35 C34 H34 120.3 . . ?
N1 C35 C30 119.7(9) . . ?
N1 C35 C34 119.8(9) . . ?
C34 C35 C30 120.5(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.614
_oxdiff_exptl_absorpt_empirical_full_min 0.516
