# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1835480'
loop_
_audit_author_name
_audit_author_address
'Xiao nan Li'
;Northeast Normal University
China
;
_audit_update_record             
;
2018-04-08 deposited with the CCDC.	2020-02-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H24 N4 O15 Zn2'
_chemical_formula_weight         811.27

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4442(6)
_cell_length_b                   11.2777(5)
_cell_length_c                   14.8434(8)
_cell_angle_alpha                103.166(2)
_cell_angle_beta                 107.531(2)
_cell_angle_gamma                102.434(2)
_cell_volume                     1545.57(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    300(2)
_cell_measurement_reflns_used    9880
_cell_measurement_theta_min      2.819
_cell_measurement_theta_max      25.709

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    1.636
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.628
_exptl_absorpt_correction_T_max  0.654
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      300(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28836
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.42
_diffrn_reflns_theta_max         25.74
_reflns_number_total             5872
_reflns_number_gt                4839
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0532P)²+1.4678P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5872
_refine_ls_number_parameters     466
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0338
_refine_ls_wR_factor_ref         0.1082
_refine_ls_wR_factor_gt          0.0915
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.118
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn -0.24526(3) 0.19891(3) 0.37854(2) 0.01922(11) Uani 1 1 d . . .
Zn2 Zn 1.23035(3) 0.79635(3) 1.12740(2) 0.01897(11) Uani 1 1 d . . .
O1 O -0.1875(2) 0.2985(2) 0.52325(14) 0.0245(4) Uani 1 1 d . . .
O2 O -0.4178(2) 0.14995(19) 0.57532(14) 0.0248(5) Uani 1 1 d . . .
O3 O 1.1767(2) 0.6971(2) 0.98500(15) 0.0276(5) Uani 1 1 d . . .
O4 O 1.3431(2) 0.9038(2) 0.77320(15) 0.0283(5) Uani 1 1 d . . .
O5 O -0.3530(2) 0.1185(2) 0.72241(15) 0.0287(5) Uani 1 1 d . . .
O6 O -0.1134(2) 0.0960(2) 0.40342(17) 0.0312(5) Uani 1 1 d . . .
O7 O 1.0801(2) 0.8805(2) 1.11382(18) 0.0332(5) Uani 1 1 d . . .
O8 O 1.3773(2) 0.9430(2) 1.11280(15) 0.0328(5) Uani 1 1 d . . .
O9 O -0.3489(3) 0.4006(2) 0.49692(17) 0.0400(6) Uani 1 1 d . . .
N1 N -0.2077(2) 0.3606(2) 0.81486(17) 0.0185(5) Uani 1 1 d . . .
O10 O 1.3846(3) 0.6642(3) 1.00349(17) 0.0390(6) Uani 1 1 d . . .
N2 N 1.2056(2) 0.6579(2) 0.68579(16) 0.0181(5) Uani 1 1 d . . .
O12 O 1.3585(3) 0.8914(2) 0.92197(16) 0.0418(6) Uani 1 1 d . . .
O13 O 0.0307(3) 0.1905(3) 0.3409(2) 0.0560(8) Uani 1 1 d . . .
O21 O -0.4302(3) 0.1025(3) 0.38620(17) 0.0480(7) Uani 1 1 d . . .
N4 N 0.2901(3) 0.1757(3) 0.5067(2) 0.0294(6) Uani 1 1 d . . .
O1W O 0.1754(4) 0.1490(3) 0.2083(3) 0.0601(8) Uani 1 1 d D . .
O20 O 0.9052(3) 0.7086(3) 1.0851(2) 0.0532(8) Uani 1 1 d . . .
N6 N 0.6311(3) 0.7113(2) 0.9336(2) 0.0302(6) Uani 1 1 d . . .
C2 C -0.3480(3) 0.1863(3) 0.6652(2) 0.0183(6) Uani 1 1 d . . .
C3 C 1.2444(3) 0.7008(3) 0.7852(2) 0.0169(5) Uani 1 1 d . . .
C4 C 1.2229(3) 0.6199(3) 0.8407(2) 0.0189(6) Uani 1 1 d . . .
C5 C -0.2536(3) 0.3237(3) 0.7152(2) 0.0166(5) Uani 1 1 d . . .
C6 C 1.3199(3) 0.8437(3) 0.8320(2) 0.0214(6) Uani 1 1 d . . .
C7 C 0.4968(3) 0.5016(3) 0.7639(2) 0.0273(7) Uani 1 1 d . . .
C8 C 0.9503(3) 0.8186(3) 1.0859(2) 0.0293(7) Uani 1 1 d . . .
C9 C 0.4224(3) 0.3879(3) 0.6739(2) 0.0268(7) Uani 1 1 d . . .
C10 C -0.2280(3) 0.4075(3) 0.6623(2) 0.0188(6) Uani 1 1 d . . .
C11 C 0.2916(4) 0.1660(3) 0.5955(3) 0.0359(8) Uani 1 1 d . . .
H11 H 0.2480 0.0876 0.5999 0.043 Uiso 1 1 calc R . .
C12 C -0.1406(3) 0.4848(3) 0.8662(2) 0.0237(6) Uani 1 1 d . . .
H12 H -0.1067 0.5103 0.9353 0.028 Uiso 1 1 calc R . .
C13 C -0.0094(3) 0.1076(3) 0.3754(2) 0.0285(7) Uani 1 1 d . . .
C14 C -0.2609(3) 0.3651(3) 0.5512(2) 0.0216(6) Uani 1 1 d . . .
C15 C -0.1630(3) 0.5366(3) 0.7165(2) 0.0246(6) Uani 1 1 d . . .
H15 H -0.1483 0.5964 0.6837 0.030 Uiso 1 1 calc R . .
C16 C 0.5907(3) 0.7282(3) 0.8437(3) 0.0327(7) Uani 1 1 d . . .
H16 H 0.6084 0.8107 0.8395 0.039 Uiso 1 1 calc R . .
C17 C 1.1435(3) 0.5321(3) 0.6377(2) 0.0232(6) Uani 1 1 d . . .
H17 H 1.1166 0.5026 0.5689 0.028 Uiso 1 1 calc R . .
C18 C 0.5236(3) 0.6258(3) 0.7579(3) 0.0317(7) Uani 1 1 d . . .
H18 H 0.4963 0.6392 0.6963 0.038 Uiso 1 1 calc R . .
C19 C 0.0670(4) 0.0078(3) 0.3878(3) 0.0341(7) Uani 1 1 d . . .
H19A H 0.0476 -0.0272 0.4379 0.041 Uiso 1 1 calc R . .
H19B H 0.0295 -0.0615 0.3255 0.041 Uiso 1 1 calc R . .
C20 C 1.1594(3) 0.4896(3) 0.7899(2) 0.0235(6) Uani 1 1 d . . .
H20 H 1.1444 0.4325 0.8248 0.028 Uiso 1 1 calc R . .
C21 C 1.1185(3) 0.4455(3) 0.6876(2) 0.0240(6) Uani 1 1 d . . .
H21A H 1.0749 0.3588 0.6529 0.029 Uiso 1 1 calc R . .
C22 C 0.3563(4) 0.2696(3) 0.6792(3) 0.0349(8) Uani 1 1 d . . .
H22 H 0.3564 0.2614 0.7401 0.042 Uiso 1 1 calc R . .
C23 C 0.8491(3) 0.8910(3) 1.0492(3) 0.0353(8) Uani 1 1 d . . .
H23A H 0.8766 0.9731 1.0996 0.042 Uiso 1 1 calc R . .
H23B H 0.8592 0.9074 0.9899 0.042 Uiso 1 1 calc R . .
C24 C -0.1206(3) 0.5759(3) 0.8188(2) 0.0253(6) Uani 1 1 d . . .
H24 H -0.0791 0.6621 0.8554 0.030 Uiso 1 1 calc R . .
C25 C 1.2685(3) 0.6657(3) 0.9531(2) 0.0211(6) Uani 1 1 d . . .
C26 C 0.5419(3) 0.4876(3) 0.8577(3) 0.0307(7) Uani 1 1 d . . .
H26 H 0.5271 0.4062 0.8641 0.037 Uiso 1 1 calc R . .
C27 C 0.6081(3) 0.5930(3) 0.9412(3) 0.0332(7) Uani 1 1 d . . .
H27 H 0.6373 0.5822 1.0036 0.040 Uiso 1 1 calc R . .
C28 C 0.4187(4) 0.3941(3) 0.5810(3) 0.0352(8) Uani 1 1 d . . .
H28 H 0.4618 0.4710 0.5742 0.042 Uiso 1 1 calc R . .
C29 C 0.2255(4) 0.0598(3) 0.4177(3) 0.0378(8) Uani 1 1 d . . .
H29A H 0.2677 -0.0059 0.4315 0.045 Uiso 1 1 calc R . .
H29B H 0.2460 0.0804 0.3625 0.045 Uiso 1 1 calc R . .
C30 C 0.3520(4) 0.2876(4) 0.4994(3) 0.0381(8) Uani 1 1 d . . .
H30 H 0.3497 0.2933 0.4375 0.046 Uiso 1 1 calc R . .
C31 C 0.6950(3) 0.8240(3) 1.0251(3) 0.0370(8) Uani 1 1 d . . .
H31A H 0.6860 0.7965 1.0808 0.044 Uiso 1 1 calc R . .
H31B H 0.6426 0.8847 1.0171 0.044 Uiso 1 1 calc R . .
H1WA H 0.123(4) 0.161(3) 0.242(3) 0.056 Uiso 1 1 d D . .
H1WB H 0.141(4) 0.0699(14) 0.176(3) 0.056 Uiso 1 1 d 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 O6 1.990(2) . ?
Zn1 O1 2.017(2) . ?
Zn1 O21 2.052(2) . ?
Zn1 N2 2.084(2) 2_666 ?
Zn1 O4 2.091(2) 2_666 ?
Zn2 O7 1.985(2) . ?
Zn2 O3 1.993(2) . ?
Zn2 O5 2.076(2) 2_667 ?
Zn2 O8 2.100(2) . ?
Zn2 N1 2.135(2) 2_667 ?
O1 C14 1.273(4) . ?
O2 C2 1.231(3) . ?
O3 C25 1.270(4) . ?
O4 C6 1.268(3) . ?
O4 Zn1 2.091(2) 2_666 ?
O5 C2 1.271(3) . ?
O5 Zn2 2.076(2) 2_667 ?
O6 C13 1.266(4) . ?
O7 C8 1.273(4) . ?
O9 C14 1.230(4) . ?
N1 C5 1.340(4) . ?
N1 C12 1.342(4) . ?
N1 Zn2 2.135(2) 2_667 ?
O10 C25 1.224(4) . ?
N2 C3 1.343(3) . ?
N2 C17 1.343(4) . ?
N2 Zn1 2.084(2) 2_666 ?
O12 C6 1.220(4) . ?
O13 C13 1.222(4) . ?
N4 C30 1.332(4) . ?
N4 C11 1.343(4) . ?
N4 C29 1.486(4) . ?
O1W H1WA 0.856(10) . ?
O1W H1WB 0.848(10) . ?
O20 C8 1.225(4) . ?
N6 C27 1.341(4) . ?
N6 C16 1.343(4) . ?
N6 C31 1.486(4) . ?
C2 C5 1.517(4) . ?
C3 C4 1.389(4) . ?
C3 C6 1.521(4) . ?
C4 C20 1.394(4) . ?
C4 C25 1.516(4) . ?
C5 C10 1.392(4) . ?
C7 C26 1.387(4) . ?
C7 C18 1.397(4) . ?
C7 C9 1.482(4) . ?
C8 C23 1.519(4) . ?
C9 C28 1.386(5) . ?
C9 C22 1.395(4) . ?
C10 C15 1.393(4) . ?
C10 C14 1.514(4) . ?
C11 C22 1.363(5) . ?
C11 H11 0.9300 . ?
C12 C24 1.385(4) . ?
C12 H12 0.9300 . ?
C13 C19 1.526(4) . ?
C15 C24 1.379(4) . ?
C15 H15 0.9300 . ?
C16 C18 1.375(5) . ?
C16 H16 0.9300 . ?
C17 C21 1.381(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C29 1.517(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.382(4) . ?
C20 H20 0.9300 . ?
C21 H21A 0.9300 . ?
C22 H22 0.9300 . ?
C23 C31 1.515(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24 0.9300 . ?
C26 C27 1.373(5) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C30 1.364(5) . ?
C28 H28 0.9300 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30 0.9300 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?

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 O1 94.95(9) . . ?
O6 Zn1 O21 107.51(11) . . ?
O1 Zn1 O21 87.25(9) . . ?
O6 Zn1 N2 119.94(9) . 2_666 ?
O1 Zn1 N2 102.88(9) . 2_666 ?
O21 Zn1 N2 129.91(11) . 2_666 ?
O6 Zn1 O4 93.55(9) . 2_666 ?
O1 Zn1 O4 169.26(9) . 2_666 ?
O21 Zn1 O4 83.94(9) . 2_666 ?
N2 Zn1 O4 78.37(8) 2_666 2_666 ?
O7 Zn2 O3 99.42(9) . . ?
O7 Zn2 O5 101.09(10) . 2_667 ?
O3 Zn2 O5 158.82(9) . 2_667 ?
O7 Zn2 O8 96.00(10) . . ?
O3 Zn2 O8 90.04(8) . . ?
O5 Zn2 O8 82.63(8) 2_667 . ?
O7 Zn2 N1 116.76(9) . 2_667 ?
O3 Zn2 N1 98.21(9) . 2_667 ?
O5 Zn2 N1 77.16(8) 2_667 2_667 ?
O8 Zn2 N1 144.06(9) . 2_667 ?
C14 O1 Zn1 120.59(19) . . ?
C25 O3 Zn2 120.56(19) . . ?
C6 O4 Zn1 115.87(18) . 2_666 ?
C2 O5 Zn2 117.64(18) . 2_667 ?
C13 O6 Zn1 122.5(2) . . ?
C8 O7 Zn2 122.8(2) . . ?
C5 N1 C12 119.0(2) . . ?
C5 N1 Zn2 113.00(18) . 2_667 ?
C12 N1 Zn2 127.55(19) . 2_667 ?
C3 N2 C17 119.2(2) . . ?
C3 N2 Zn1 114.18(18) . 2_666 ?
C17 N2 Zn1 126.59(19) . 2_666 ?
C30 N4 C11 120.1(3) . . ?
C30 N4 C29 120.2(3) . . ?
C11 N4 C29 119.6(3) . . ?
H1WA O1W H1WB 103(2) . . ?
C27 N6 C16 120.2(3) . . ?
C27 N6 C31 119.8(3) . . ?
C16 N6 C31 119.9(3) . . ?
O2 C2 O5 124.8(3) . . ?
O2 C2 C5 119.4(2) . . ?
O5 C2 C5 115.7(2) . . ?
N2 C3 C4 122.5(3) . . ?
N2 C3 C6 114.6(2) . . ?
C4 C3 C6 122.9(2) . . ?
C3 C4 C20 117.7(3) . . ?
C3 C4 C25 123.5(3) . . ?
C20 C4 C25 118.8(2) . . ?
N1 C5 C10 122.9(3) . . ?
N1 C5 C2 114.1(2) . . ?
C10 C5 C2 122.8(2) . . ?
O12 C6 O4 124.7(3) . . ?
O12 C6 C3 119.2(3) . . ?
O4 C6 C3 116.0(2) . . ?
C26 C7 C18 117.6(3) . . ?
C26 C7 C9 120.6(3) . . ?
C18 C7 C9 121.8(3) . . ?
O20 C8 O7 125.0(3) . . ?
O20 C8 C23 120.4(3) . . ?
O7 C8 C23 114.6(3) . . ?
C28 C9 C22 117.1(3) . . ?
C28 C9 C7 121.2(3) . . ?
C22 C9 C7 121.7(3) . . ?
C5 C10 C15 117.2(3) . . ?
C5 C10 C14 123.7(3) . . ?
C15 C10 C14 119.0(3) . . ?
N4 C11 C22 120.8(3) . . ?
N4 C11 H11 119.6 . . ?
C22 C11 H11 119.6 . . ?
N1 C12 C24 121.8(3) . . ?
N1 C12 H12 119.1 . . ?
C24 C12 H12 119.1 . . ?
O13 C13 O6 124.8(3) . . ?
O13 C13 C19 120.3(3) . . ?
O6 C13 C19 114.9(3) . . ?
O9 C14 O1 125.7(3) . . ?
O9 C14 C10 119.3(3) . . ?
O1 C14 C10 115.0(2) . . ?
C24 C15 C10 120.0(3) . . ?
C24 C15 H15 120.0 . . ?
C10 C15 H15 120.0 . . ?
N6 C16 C18 121.3(3) . . ?
N6 C16 H16 119.3 . . ?
C18 C16 H16 119.3 . . ?
N2 C17 C21 121.9(3) . . ?
N2 C17 H17 119.1 . . ?
C21 C17 H17 119.1 . . ?
C16 C18 C7 119.6(3) . . ?
C16 C18 H18 120.2 . . ?
C7 C18 H18 120.2 . . ?
C29 C19 C13 113.8(3) . . ?
C29 C19 H19A 108.8 . . ?
C13 C19 H19A 108.8 . . ?
C29 C19 H19B 108.8 . . ?
C13 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C21 C20 C4 119.9(3) . . ?
C21 C20 H20 120.1 . . ?
C4 C20 H20 120.1 . . ?
C17 C21 C20 118.9(3) . . ?
C17 C21 H21A 120.6 . . ?
C20 C21 H21A 120.6 . . ?
C11 C22 C9 120.4(3) . . ?
C11 C22 H22 119.8 . . ?
C9 C22 H22 119.8 . . ?
C31 C23 C8 115.4(3) . . ?
C31 C23 H23A 108.4 . . ?
C8 C23 H23A 108.4 . . ?
C31 C23 H23B 108.4 . . ?
C8 C23 H23B 108.4 . . ?
H23A C23 H23B 107.5 . . ?
C15 C24 C12 118.9(3) . . ?
C15 C24 H24 120.5 . . ?
C12 C24 H24 120.5 . . ?
O10 C25 O3 126.6(3) . . ?
O10 C25 C4 118.5(3) . . ?
O3 C25 C4 114.9(2) . . ?
C27 C26 C7 120.6(3) . . ?
C27 C26 H26 119.7 . . ?
C7 C26 H26 119.7 . . ?
N6 C27 C26 120.7(3) . . ?
N6 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C30 C28 C9 120.2(3) . . ?
C30 C28 H28 119.9 . . ?
C9 C28 H28 119.9 . . ?
N4 C29 C19 112.4(3) . . ?
N4 C29 H29A 109.1 . . ?
C19 C29 H29A 109.1 . . ?
N4 C29 H29B 109.1 . . ?
C19 C29 H29B 109.1 . . ?
H29A C29 H29B 107.8 . . ?
N4 C30 C28 121.4(3) . . ?
N4 C30 H30 119.3 . . ?
C28 C30 H30 119.3 . . ?
N6 C31 C23 113.7(3) . . ?
N6 C31 H31A 108.8 . . ?
C23 C31 H31A 108.8 . . ?
N6 C31 H31B 108.8 . . ?
C23 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.74
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.582
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.146
