# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_kgd-Zn
_database_code_depnum_ccdc_archive 'CCDC 2024061'
loop_
_audit_author_name
_audit_author_address
kgd-Zn
;Harbin Institute of Technology
China
;
_audit_update_record             
;
2020-08-19 deposited with the CCDC.	2020-12-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C58 H66 N4 O24 Zn3'
_chemical_formula_weight         1399.32

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                   9.1318(4)
_cell_length_b                   13.4077(5)
_cell_length_c                   13.8792(6)
_cell_angle_alpha                66.6240(10)
_cell_angle_beta                 89.0330(10)
_cell_angle_gamma                76.0210(10)
_cell_volume                     1507.69(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5305
_cell_measurement_theta_min      2.497
_cell_measurement_theta_max      24.999

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_F_000             724
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    1.270
_shelx_estimated_absorpt_T_min   0.672
_shelx_estimated_absorpt_T_max   0.702
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.656
_exptl_absorpt_correction_T_max  0.683
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21924
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.497
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             5213
_reflns_number_gt                5017
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0604P)²+3.5215P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5213
_refine_ls_number_parameters     403
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_ref         0.1270
_refine_ls_wR_factor_gt          0.1265
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_restrained_S_all      1.168
_refine_ls_shift/su_max          0.003
_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 0.5000 1.0000 0.0000 0.01352(15) Uani 1 2 d S . P . .
Zn2 Zn 0.77676(4) 0.98657(3) 0.19598(3) 0.01500(14) Uani 1 1 d . . . . .
O1 O 0.7577(3) 0.4652(2) 0.54054(18) 0.0237(5) Uani 1 1 d . . . . .
O2 O 0.4917(3) 0.4727(2) 0.24518(19) 0.0248(6) Uani 1 1 d . . . . .
O3 O 0.7191(3) 0.84851(19) 0.26867(18) 0.0218(5) Uani 1 1 d . . . . .
O4 O 0.6158(3) 0.85029(19) 0.12274(18) 0.0217(5) Uani 1 1 d . . . . .
O5 O 0.8647(3) 0.0461(2) 1.06461(18) 0.0230(5) Uani 1 1 d . . . . .
O6 O 0.6989(3) 0.0466(2) 0.94734(19) 0.0253(6) Uani 1 1 d . . . . .
O7 O 0.4649(3) 0.0895(2) 0.09618(19) 0.0252(6) Uani 1 1 d . . . . .
O8 O 0.6307(3) 0.1259(2) 0.1852(2) 0.0268(6) Uani 1 1 d . . . . .
O9 O 0.9393(3) 0.9717(2) 0.2980(2) 0.0252(5) Uani 1 1 d . . . . .
H9A H 0.9102 0.9490 0.3598 0.038 Uiso 1 1 d R U . . .
H9B H 1.0188 0.9244 0.2957 0.038 Uiso 1 1 d R U . . .
O10 O 0.3180(5) 0.0931(5) 0.3620(3) 0.0775(13) Uani 1 1 d . . . . .
O11 O 1.0311(4) 0.1930(3) 0.5082(2) 0.0493(8) Uani 1 1 d . . . . .
OW1 O 1.1945(5) 1.0206(5) 0.2315(4) 0.0878(18) Uani 1 1 d . . . . .
HW1A H 1.2300 1.0433 0.1718 0.132 Uiso 1 1 d R U . . .
HW1C H 1.2512 0.9573 0.2719 0.132 Uiso 1 1 d R U . . .
N1 N 0.5069(5) 0.1455(4) 0.4223(4) 0.0549(11) Uani 1 1 d . . . . .
N2 N 0.9873(4) 0.2750(3) 0.3306(3) 0.0334(8) Uani 1 1 d . . . . .
C1 C 0.6945(4) 0.5180(3) 0.4385(3) 0.0179(7) Uani 1 1 d . . . . .
C2 C 0.6211(4) 0.4688(3) 0.3904(3) 0.0191(7) Uani 1 1 d . . . . .
H2A H 0.6111 0.3946 0.4284 0.023 Uiso 1 1 calc R U . . .
C3 C 0.5615(4) 0.5294(3) 0.2853(3) 0.0183(7) Uani 1 1 d . . . . .
C4 C 0.5740(4) 0.6378(3) 0.2292(2) 0.0165(6) Uani 1 1 d . . . . .
H4A H 0.5336 0.6785 0.1578 0.020 Uiso 1 1 calc R U . . .
C5 C 0.6477(4) 0.6864(3) 0.2799(2) 0.0157(6) Uani 1 1 d . . . . .
C6 C 0.7095(4) 0.6275(3) 0.3834(3) 0.0174(7) Uani 1 1 d . . . . .
H6A H 0.7612 0.6607 0.4164 0.021 Uiso 1 1 calc R U . . .
C7 C 0.6608(4) 0.8044(3) 0.2186(2) 0.0153(6) Uani 1 1 d . . . . .
C8 C 0.7484(4) 0.3520(3) 0.5973(3) 0.0192(7) Uani 1 1 d . . . . .
H8A H 0.7991 0.3046 0.5608 0.023 Uiso 1 1 calc R U . . .
H8B H 0.6409 0.3494 0.6009 0.023 Uiso 1 1 calc R U . . .
C9 C 0.8245(4) 0.3085(3) 0.7067(2) 0.0163(6) Uani 1 1 d . . . . .
C10 C 0.7832(4) 0.2200(3) 0.7860(3) 0.0159(6) Uani 1 1 d . . . . .
H10A H 0.7061 0.1907 0.7705 0.019 Uiso 1 1 calc R U . . .
C11 C 0.8529(4) 0.1737(3) 0.8876(2) 0.0150(6) Uani 1 1 d . . . . .
C12 C 0.9655(4) 0.2175(3) 0.9111(3) 0.0200(7) Uani 1 1 d . . . . .
H12A H 1.0134 0.1868 0.9806 0.024 Uiso 1 1 calc R U . . .
C13 C 1.0060(4) 0.3058(3) 0.8320(3) 0.0220(7) Uani 1 1 d . . . . .
H13A H 1.0823 0.3359 0.8475 0.026 Uiso 1 1 calc R U . . .
C14 C 0.9362(4) 0.3514(3) 0.7298(3) 0.0205(7) Uani 1 1 d . . . . .
H14A H 0.9653 0.4119 0.6761 0.025 Uiso 1 1 calc R U . . .
C15 C 0.8007(4) 0.0813(3) 0.9726(2) 0.0161(6) Uani 1 1 d . . . . .
C16 C 0.4229(4) 0.5328(3) 0.1393(3) 0.0208(7) Uani 1 1 d . . . . .
H16A H 0.4972 0.5650 0.0918 0.025 Uiso 1 1 calc R U . . .
H16B H 0.3359 0.5952 0.1355 0.025 Uiso 1 1 calc R U . . .
C17 C 0.3700(4) 0.4525(3) 0.1056(3) 0.0174(7) Uani 1 1 d . . . . .
C18 C 0.4559(4) 0.3422(3) 0.1358(3) 0.0172(7) Uani 1 1 d . . . . .
H18A H 0.5458 0.3157 0.1816 0.021 Uiso 1 1 calc R U . . .
C19 C 0.4110(4) 0.2705(3) 0.0992(3) 0.0172(7) Uani 1 1 d . . . . .
C20 C 0.2798(4) 0.3091(3) 0.0317(3) 0.0214(7) Uani 1 1 d . . . . .
H20A H 0.2487 0.2602 0.0068 0.026 Uiso 1 1 calc R U . . .
C21 C 0.1947(4) 0.4191(3) 0.0009(3) 0.0253(8) Uani 1 1 d . . . . .
H21A H 0.1057 0.4461 -0.0459 0.030 Uiso 1 1 calc R U . . .
C22 C 0.2396(4) 0.4902(3) 0.0384(3) 0.0224(7) Uani 1 1 d . . . . .
H22A H 0.1803 0.5653 0.0176 0.027 Uiso 1 1 calc R U . . .
C23 C 0.5077(4) 0.1531(3) 0.1284(3) 0.0186(7) Uani 1 1 d . . . . .
C24 C 0.4520(7) 0.0875(5) 0.3777(4) 0.0544(13) Uani 1 1 d . . . . .
H24A H 0.5240 0.0377 0.3564 0.065 Uiso 1 1 calc R U . . .
C25 C 0.4036(6) 0.2226(5) 0.4535(5) 0.0591(14) Uani 1 1 d . . . . .
H25A H 0.4600 0.2580 0.4844 0.089 Uiso 1 1 calc R U . . .
H25B H 0.3378 0.2805 0.3919 0.089 Uiso 1 1 calc R U . . .
H25C H 0.3416 0.1825 0.5059 0.089 Uiso 1 1 calc R U . . .
C26 C 0.6649(6) 0.1384(5) 0.4266(5) 0.0528(13) Uani 1 1 d . . . . .
H26A H 0.6857 0.1852 0.4612 0.079 Uiso 1 1 calc R U . . .
H26B H 0.7211 0.0601 0.4666 0.079 Uiso 1 1 calc R U . . .
H26C H 0.6966 0.1649 0.3549 0.079 Uiso 1 1 calc R U . . .
C27 C 1.0057(5) 0.1890(4) 0.4228(3) 0.0353(9) Uani 1 1 d . . . . .
H27A H 0.9989 0.1190 0.4237 0.042 Uiso 1 1 calc R U . . .
C28 C 0.9551(8) 0.2651(5) 0.2326(4) 0.0601(15) Uani 1 1 d . . . . .
H28A H 0.9454 0.3377 0.1732 0.090 Uiso 1 1 calc R U . . .
H28B H 1.0380 0.2084 0.2237 0.090 Uiso 1 1 calc R U . . .
H28C H 0.8602 0.2425 0.2352 0.090 Uiso 1 1 calc R U . . .
C29 C 1.0057(6) 0.3836(4) 0.3213(4) 0.0455(11) Uani 1 1 d . . . . .
H29A H 0.9876 0.4365 0.2471 0.068 Uiso 1 1 calc R U . . .
H29B H 0.9328 0.4126 0.3625 0.068 Uiso 1 1 calc R U . . .
H29C H 1.1089 0.3744 0.3479 0.068 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O6 2.089(2) 2_666 ?
Zn1 O6 2.089(2) 1_564 ?
Zn1 O4 2.091(2) 2_675 ?
Zn1 O4 2.091(2) . ?
Zn1 O7 2.096(2) 2_665 ?
Zn1 O7 2.096(2) 1_565 ?
Zn2 O3 1.922(2) . ?
Zn2 O5 1.927(2) 1_564 ?
Zn2 O8 1.967(2) 1_565 ?
Zn2 O9 1.988(2) . ?
O1 C1 1.369(4) . ?
O1 C8 1.429(4) . ?
O2 C3 1.369(4) . ?
O2 C16 1.432(4) . ?
O3 C7 1.268(4) . ?
O4 C7 1.250(4) . ?
O5 C15 1.269(4) . ?
O5 Zn2 1.927(2) 1_546 ?
O6 C15 1.246(4) . ?
O6 Zn1 2.089(2) 1_546 ?
O7 C23 1.245(4) . ?
O7 Zn1 2.096(2) 1_545 ?
O8 C23 1.272(4) . ?
O8 Zn2 1.967(2) 1_545 ?
O9 H9A 0.8500 . ?
O9 H9B 0.8499 . ?
O10 C24 1.226(7) . ?
O11 C27 1.235(6) . ?
OW1 HW1A 0.8500 . ?
OW1 HW1C 0.8499 . ?
N1 C24 1.350(7) . ?
N1 C25 1.420(7) . ?
N1 C26 1.423(6) . ?
N2 C27 1.319(5) . ?
N2 C29 1.459(6) . ?
N2 C28 1.459(6) . ?
C1 C2 1.382(5) . ?
C1 C6 1.400(5) . ?
C2 C3 1.400(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.382(5) . ?
C4 C5 1.402(5) . ?
C4 H4A 0.9500 . ?
C5 C6 1.384(5) . ?
C5 C7 1.504(4) . ?
C6 H6A 0.9500 . ?
C8 C9 1.506(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C14 1.384(5) . ?
C9 C10 1.388(5) . ?
C10 C11 1.387(5) . ?
C10 H10A 0.9500 . ?
C11 C12 1.401(5) . ?
C11 C15 1.503(4) . ?
C12 C13 1.383(5) . ?
C12 H12A 0.9500 . ?
C13 C14 1.395(5) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C16 C17 1.506(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C22 1.385(5) . ?
C17 C18 1.392(5) . ?
C18 C19 1.390(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.391(5) . ?
C19 C23 1.502(5) . ?
C20 C21 1.386(5) . ?
C20 H20A 0.9500 . ?
C21 C22 1.391(5) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 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
O6 Zn1 O6 180.00(14) 2_666 1_564 ?
O6 Zn1 O4 93.36(10) 2_666 2_675 ?
O6 Zn1 O4 86.64(10) 1_564 2_675 ?
O6 Zn1 O4 86.64(10) 2_666 . ?
O6 Zn1 O4 93.36(10) 1_564 . ?
O4 Zn1 O4 180.00(13) 2_675 . ?
O6 Zn1 O7 93.98(10) 2_666 2_665 ?
O6 Zn1 O7 86.02(10) 1_564 2_665 ?
O4 Zn1 O7 93.25(9) 2_675 2_665 ?
O4 Zn1 O7 86.75(9) . 2_665 ?
O6 Zn1 O7 86.02(10) 2_666 1_565 ?
O6 Zn1 O7 93.98(10) 1_564 1_565 ?
O4 Zn1 O7 86.75(9) 2_675 1_565 ?
O4 Zn1 O7 93.25(9) . 1_565 ?
O7 Zn1 O7 180.0 2_665 1_565 ?
O3 Zn2 O5 132.73(11) . 1_564 ?
O3 Zn2 O8 116.90(11) . 1_565 ?
O5 Zn2 O8 98.52(11) 1_564 1_565 ?
O3 Zn2 O9 101.02(10) . . ?
O5 Zn2 O9 101.05(11) 1_564 . ?
O8 Zn2 O9 101.88(11) 1_565 . ?
C1 O1 C8 116.6(3) . . ?
C3 O2 C16 116.8(3) . . ?
C7 O3 Zn2 121.1(2) . . ?
C7 O4 Zn1 144.9(2) . . ?
C15 O5 Zn2 126.9(2) . 1_546 ?
C15 O6 Zn1 140.8(2) . 1_546 ?
C23 O7 Zn1 148.0(2) . 1_545 ?
C23 O8 Zn2 115.8(2) . 1_545 ?
Zn2 O9 H9A 109.3 . . ?
Zn2 O9 H9B 109.3 . . ?
H9A O9 H9B 109.5 . . ?
HW1A OW1 HW1C 109.5 . . ?
C24 N1 C25 119.0(5) . . ?
C24 N1 C26 119.8(5) . . ?
C25 N1 C26 120.8(4) . . ?
C27 N2 C29 121.4(4) . . ?
C27 N2 C28 121.9(4) . . ?
C29 N2 C28 116.7(4) . . ?
O1 C1 C2 123.6(3) . . ?
O1 C1 C6 115.6(3) . . ?
C2 C1 C6 120.8(3) . . ?
C1 C2 C3 119.4(3) . . ?
C1 C2 H2A 120.3 . . ?
C3 C2 H2A 120.3 . . ?
O2 C3 C4 124.4(3) . . ?
O2 C3 C2 114.6(3) . . ?
C4 C3 C2 121.0(3) . . ?
C3 C4 C5 118.6(3) . . ?
C3 C4 H4A 120.7 . . ?
C5 C4 H4A 120.7 . . ?
C6 C5 C4 121.3(3) . . ?
C6 C5 C7 120.3(3) . . ?
C4 C5 C7 118.4(3) . . ?
C5 C6 C1 118.9(3) . . ?
C5 C6 H6A 120.6 . . ?
C1 C6 H6A 120.6 . . ?
O4 C7 O3 125.5(3) . . ?
O4 C7 C5 117.8(3) . . ?
O3 C7 C5 116.7(3) . . ?
O1 C8 C9 108.7(3) . . ?
O1 C8 H8A 110.0 . . ?
C9 C8 H8A 110.0 . . ?
O1 C8 H8B 110.0 . . ?
C9 C8 H8B 110.0 . . ?
H8A C8 H8B 108.3 . . ?
C14 C9 C10 119.4(3) . . ?
C14 C9 C8 122.4(3) . . ?
C10 C9 C8 118.2(3) . . ?
C11 C10 C9 120.9(3) . . ?
C11 C10 H10A 119.5 . . ?
C9 C10 H10A 119.5 . . ?
C10 C11 C12 119.7(3) . . ?
C10 C11 C15 119.5(3) . . ?
C12 C11 C15 120.7(3) . . ?
C13 C12 C11 119.2(3) . . ?
C13 C12 H12A 120.4 . . ?
C11 C12 H12A 120.4 . . ?
C12 C13 C14 120.8(3) . . ?
C12 C13 H13A 119.6 . . ?
C14 C13 H13A 119.6 . . ?
C9 C14 C13 120.0(3) . . ?
C9 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
O6 C15 O5 125.8(3) . . ?
O6 C15 C11 117.9(3) . . ?
O5 C15 C11 116.2(3) . . ?
O2 C16 C17 108.6(3) . . ?
O2 C16 H16A 110.0 . . ?
C17 C16 H16A 110.0 . . ?
O2 C16 H16B 110.0 . . ?
C17 C16 H16B 110.0 . . ?
H16A C16 H16B 108.4 . . ?
C22 C17 C18 119.2(3) . . ?
C22 C17 C16 119.9(3) . . ?
C18 C17 C16 120.8(3) . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C18 C19 C20 120.0(3) . . ?
C18 C19 C23 120.1(3) . . ?
C20 C19 C23 119.8(3) . . ?
C21 C20 C19 119.7(3) . . ?
C21 C20 H20A 120.2 . . ?
C19 C20 H20A 120.2 . . ?
C20 C21 C22 120.0(3) . . ?
C20 C21 H21A 120.0 . . ?
C22 C21 H21A 120.0 . . ?
C17 C22 C21 120.7(3) . . ?
C17 C22 H22A 119.7 . . ?
C21 C22 H22A 119.7 . . ?
O7 C23 O8 124.3(3) . . ?
O7 C23 C19 119.3(3) . . ?
O8 C23 C19 116.4(3) . . ?
O10 C24 N1 126.0(6) . . ?
O10 C24 H24A 117.0 . . ?
N1 C24 H24A 117.0 . . ?
N1 C25 H25A 109.5 . . ?
N1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C26 H26A 109.5 . . ?
N1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O11 C27 N2 124.6(4) . . ?
O11 C27 H27A 117.7 . . ?
N2 C27 H27A 117.7 . . ?
N2 C28 H28A 109.5 . . ?
N2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N2 C29 H29A 109.5 . . ?
N2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

_refine_diff_density_max         1.563
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.089

