# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_c:\users\wu\desktop\tmp1\336100k
_database_code_depnum_ccdc_archive 'CCDC 1941198'
_audit_update_record             
;
2019-07-17 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C12 H38 Cl10 N6 O Pb2'
_chemical_formula_weight         1051.36

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.3797(3)
_cell_length_b                   17.0669(3)
_cell_length_c                   13.1789(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.323(2)
_cell_angle_gamma                90.00
_cell_volume                     2991.09(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    11059
_cell_measurement_theta_min      3.4980
_cell_measurement_theta_max      29.3160

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1976
_exptl_absorpt_coefficient_mu    12.155
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'SuperNova, Dual, Cu at zero, Atlas'
_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            18228
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_sigmaI/netI    0.0522
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.49
_diffrn_reflns_theta_max         26.37
_reflns_number_total             6071
_reflns_number_gt                5544
_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)+(0.0478P)²+3.3403P] 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         6071
_refine_ls_number_parameters     287
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_ref         0.0939
_refine_ls_wR_factor_gt          0.0912
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.002
_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
Pb1 Pb 0.938009(17) 0.047397(13) 0.280446(18) 0.00618(9) Uani 1 1 d . . .
Pb2 Pb 0.527758(17) -0.078055(13) 0.196237(18) 0.00681(9) Uani 1 1 d . . .
Cl11 Cl 0.33615(11) -0.14737(9) 0.17567(12) 0.0092(3) Uani 1 1 d . . .
Cl4 Cl 0.93690(12) 0.09804(10) 0.07807(12) 0.0127(3) Uani 1 1 d . . .
Cl1 Cl 1.13382(12) 0.10707(9) 0.28677(12) 0.0109(3) Uani 1 1 d . . .
Cl3 Cl 1.00357(12) -0.10589(9) 0.22954(12) 0.0107(3) Uani 1 1 d . . .
Cl6 Cl 0.73323(13) -0.01628(10) 0.26015(14) 0.0180(4) Uani 1 1 d . . .
Cl7 Cl 0.54938(13) -0.16280(11) 0.37610(13) 0.0176(4) Uani 1 1 d . . .
Cl5 Cl 0.84801(13) 0.18395(9) 0.34832(13) 0.0153(4) Uani 1 1 d . . .
Cl8 Cl 0.41759(13) 0.05298(10) 0.28938(14) 0.0155(4) Uani 1 1 d . . .
Cl10 Cl 0.60077(13) -0.20718(10) 0.10343(14) 0.0174(4) Uani 1 1 d . . .
Cl2 Cl 1.0000 0.0000 0.5000 0.0135(5) Uani 1 2 d S . .
Cl9 Cl 0.5000 0.0000 0.0000 0.0465(10) Uani 1 2 d S . .
N1 N 0.7385(4) 0.0679(3) 0.4949(4) 0.0115(12) Uani 1 1 d . . .
H1A H 0.7763 0.0881 0.4469 0.014 Uiso 1 1 calc R . .
H1B H 0.7378 0.0143 0.4888 0.014 Uiso 1 1 calc R . .
N2 N 0.6821(4) 0.2116(3) 0.5906(4) 0.0086(11) Uani 1 1 d . . .
H2 H 0.6435 0.1911 0.6387 0.010 Uiso 1 1 calc R . .
C2 C 0.6358(5) 0.1866(4) 0.4870(5) 0.0114(14) Uani 1 1 d . . .
H2A H 0.6743 0.2095 0.4343 0.014 Uiso 1 1 calc R . .
H2B H 0.5660 0.2066 0.4754 0.014 Uiso 1 1 calc R . .
C3 C 0.7843(5) 0.0906(4) 0.5997(6) 0.0147(15) Uani 1 1 d . . .
H3A H 0.8534 0.0694 0.6118 0.018 Uiso 1 1 calc R . .
H3B H 0.7444 0.0676 0.6513 0.018 Uiso 1 1 calc R . .
C1 C 0.6348(6) 0.0985(4) 0.4770(6) 0.0175(16) Uani 1 1 d . . .
H1C H 0.5935 0.0754 0.5273 0.021 Uiso 1 1 calc R . .
H1D H 0.6046 0.0835 0.4078 0.021 Uiso 1 1 calc R . .
C4 C 0.7873(5) 0.1783(4) 0.6118(5) 0.0127(14) Uani 1 1 d . . .
H4A H 0.8311 0.2013 0.5637 0.015 Uiso 1 1 calc R . .
H4B H 0.8158 0.1920 0.6820 0.015 Uiso 1 1 calc R . .
C5 C 0.6847(6) 0.3007(4) 0.6030(6) 0.0237(17) Uani 1 1 d DU . .
H5A H 0.6648 0.3252 0.5357 0.028 Uiso 1 1 calc R . .
H5B H 0.7545 0.3172 0.6258 0.028 Uiso 1 1 calc R . .
C6 C 0.6148(6) 0.3314(5) 0.6801(8) 0.052(2) Uani 1 1 d DU . .
H6A H 0.6235 0.2976 0.7415 0.063 Uiso 1 1 calc R . .
H6B H 0.6371 0.3848 0.7015 0.063 Uiso 1 1 calc R . .
N3 N 0.5085(6) 0.3345(5) 0.6436(8) 0.060(3) Uani 1 1 d DU . .
H3C H 0.4986 0.3685 0.5904 0.090 Uiso 1 1 calc R . .
H3D H 0.4733 0.3509 0.6950 0.090 Uiso 1 1 calc R . .
H3E H 0.4870 0.2859 0.6227 0.090 Uiso 1 1 calc R . .
N6 N 0.8196(4) 0.0109(3) -0.1104(4) 0.0098(11) Uani 1 1 d U . .
H6C H 0.8743 0.0281 -0.0692 0.015 Uiso 1 1 calc R . .
H6D H 0.7836 0.0527 -0.1371 0.015 Uiso 1 1 calc R . .
H6E H 0.8401 -0.0185 -0.1619 0.015 Uiso 1 1 calc R . .
N5 N 0.8454(4) -0.1697(3) -0.0528(4) 0.0060(11) Uani 1 1 d . . .
H5 H 0.8888 -0.1498 -0.0968 0.007 Uiso 1 1 calc R . .
C12 C 0.7556(5) -0.0375(4) -0.0499(6) 0.0106(13) Uani 1 1 d U . .
H12A H 0.7009 -0.0610 -0.0969 0.013 Uiso 1 1 calc R . .
H12B H 0.7242 -0.0030 -0.0021 0.013 Uiso 1 1 calc R . .
C11 C 0.8109(5) -0.1023(4) 0.0103(5) 0.0085(13) Uani 1 1 d U . .
H11A H 0.7666 -0.1236 0.0590 0.010 Uiso 1 1 calc R . .
H11B H 0.8706 -0.0795 0.0508 0.010 Uiso 1 1 calc R . .
C7 C 0.8004(5) -0.2774(4) -0.1769(5) 0.0092(13) Uani 1 1 d . . .
H7A H 0.7430 -0.3058 -0.2140 0.011 Uiso 1 1 calc R . .
H7B H 0.8414 -0.2553 -0.2281 0.011 Uiso 1 1 calc R . .
C8 C 0.7609(5) -0.2112(4) -0.1154(5) 0.0098(14) Uani 1 1 d . . .
H8A H 0.7236 -0.1734 -0.1623 0.012 Uiso 1 1 calc R . .
H8B H 0.7137 -0.2326 -0.0696 0.012 Uiso 1 1 calc R . .
C10 C 0.9027(5) -0.2285(4) 0.0172(5) 0.0116(14) Uani 1 1 d . . .
H10A H 0.9580 -0.2016 0.0596 0.014 Uiso 1 1 calc R . .
H10B H 0.8571 -0.2516 0.0634 0.014 Uiso 1 1 calc R . .
C9 C 0.9452(5) -0.2924(4) -0.0434(5) 0.0143(15) Uani 1 1 d . . .
H9A H 0.9936 -0.2696 -0.0869 0.017 Uiso 1 1 calc R . .
H9B H 0.9819 -0.3304 0.0037 0.017 Uiso 1 1 calc R . .
N4 N 0.8634(4) -0.3339(3) -0.1092(4) 0.0111(12) Uani 1 1 d . . .
H4C H 0.8230 -0.3602 -0.0684 0.013 Uiso 1 1 calc R . .
H4D H 0.8916 -0.3703 -0.1490 0.013 Uiso 1 1 calc R . .
O1 O 0.7283(4) -0.0942(3) 0.5117(4) 0.0170(11) Uani 1 1 d . . .
H14 H 0.6731 -0.1216 0.5008 0.03(3) Uiso 1 1 d R . .
H13 H 0.7656 -0.1083 0.5630 0.08(4) Uiso 1 1 d R . .


_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
Pb1 Cl4 2.8022(16) . ?
Pb1 Cl1 2.8036(16) . ?
Pb1 Cl5 2.8140(16) . ?
Pb1 Cl3 2.8624(16) . ?
Pb1 Cl6 2.9322(16) . ?
Pb1 Cl2 3.0308(2) . ?
Pb2 Cl10 2.7513(17) . ?
Pb2 Cl7 2.7647(16) . ?
Pb2 Cl11 2.8093(15) . ?
Pb2 Cl9 2.8964(2) . ?
Pb2 Cl6 2.9781(16) . ?
Pb2 Cl8 3.0132(17) . ?
Cl2 Pb1 3.0308(2) 3_756 ?
Cl9 Pb2 2.8964(2) 3_655 ?
N1 C1 1.476(9) . ?
N1 C3 1.499(9) . ?
N1 H1A 0.9200 . ?
N1 H1B 0.9200 . ?
N2 C2 1.498(8) . ?
N2 C4 1.515(8) . ?
N2 C5 1.531(8) . ?
N2 H2 0.9300 . ?
C2 C1 1.509(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.505(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C1 H1C 0.9900 . ?
C1 H1D 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.546(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N3 1.452(8) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
N3 H3C 0.9100 . ?
N3 H3D 0.9100 . ?
N3 H3E 0.9100 . ?
N6 C12 1.483(9) . ?
N6 H6C 0.9100 . ?
N6 H6D 0.9100 . ?
N6 H6E 0.9100 . ?
N5 C8 1.502(8) . ?
N5 C10 1.513(8) . ?
N5 C11 1.520(8) . ?
N5 H5 0.9300 . ?
C12 C11 1.506(9) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C7 N4 1.507(8) . ?
C7 C8 1.520(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C10 C9 1.500(10) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C9 N4 1.498(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
N4 H4C 0.9200 . ?
N4 H4D 0.9200 . ?
O1 H14 0.8731 . ?
O1 H13 0.8307 . ?

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
Cl4 Pb1 Cl1 79.82(5) . . ?
Cl4 Pb1 Cl5 95.14(5) . . ?
Cl1 Pb1 Cl5 96.95(5) . . ?
Cl4 Pb1 Cl3 91.63(5) . . ?
Cl1 Pb1 Cl3 91.69(5) . . ?
Cl5 Pb1 Cl3 169.85(5) . . ?
Cl4 Pb1 Cl6 96.92(5) . . ?
Cl1 Pb1 Cl6 176.45(5) . . ?
Cl5 Pb1 Cl6 84.70(5) . . ?
Cl3 Pb1 Cl6 86.98(5) . . ?
Cl4 Pb1 Cl2 164.41(3) . . ?
Cl1 Pb1 Cl2 84.95(3) . . ?
Cl5 Pb1 Cl2 89.96(3) . . ?
Cl3 Pb1 Cl2 85.48(3) . . ?
Cl6 Pb1 Cl2 98.21(4) . . ?
Cl10 Pb2 Cl7 87.33(6) . . ?
Cl10 Pb2 Cl11 89.12(5) . . ?
Cl7 Pb2 Cl11 82.57(5) . . ?
Cl10 Pb2 Cl9 89.33(4) . . ?
Cl7 Pb2 Cl9 175.70(4) . . ?
Cl11 Pb2 Cl9 94.68(3) . . ?
Cl10 Pb2 Cl6 92.72(5) . . ?
Cl7 Pb2 Cl6 86.36(5) . . ?
Cl11 Pb2 Cl6 168.68(5) . . ?
Cl9 Pb2 Cl6 96.51(4) . . ?
Cl10 Pb2 Cl8 171.55(5) . . ?
Cl7 Pb2 Cl8 92.79(5) . . ?
Cl11 Pb2 Cl8 82.51(5) . . ?
Cl9 Pb2 Cl8 90.11(3) . . ?
Cl6 Pb2 Cl8 95.73(5) . . ?
Pb1 Cl6 Pb2 168.87(7) . . ?
Pb1 Cl2 Pb1 179.999(1) 3_756 . ?
Pb2 Cl9 Pb2 180.0 3_655 . ?
C1 N1 C3 109.7(5) . . ?
C1 N1 H1A 109.7 . . ?
C3 N1 H1A 109.7 . . ?
C1 N1 H1B 109.7 . . ?
C3 N1 H1B 109.7 . . ?
H1A N1 H1B 108.2 . . ?
C2 N2 C4 110.1(5) . . ?
C2 N2 C5 112.5(5) . . ?
C4 N2 C5 110.1(5) . . ?
C2 N2 H2 108.0 . . ?
C4 N2 H2 108.0 . . ?
C5 N2 H2 108.0 . . ?
N2 C2 C1 111.3(5) . . ?
N2 C2 H2A 109.4 . . ?
C1 C2 H2A 109.4 . . ?
N2 C2 H2B 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
N1 C3 C4 111.0(6) . . ?
N1 C3 H3A 109.4 . . ?
C4 C3 H3A 109.4 . . ?
N1 C3 H3B 109.4 . . ?
C4 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
N1 C1 C2 109.8(6) . . ?
N1 C1 H1C 109.7 . . ?
C2 C1 H1C 109.7 . . ?
N1 C1 H1D 109.7 . . ?
C2 C1 H1D 109.7 . . ?
H1C C1 H1D 108.2 . . ?
C3 C4 N2 109.8(5) . . ?
C3 C4 H4A 109.7 . . ?
N2 C4 H4A 109.7 . . ?
C3 C4 H4B 109.7 . . ?
N2 C4 H4B 109.7 . . ?
H4A C4 H4B 108.2 . . ?
N2 C5 C6 113.5(6) . . ?
N2 C5 H5A 108.9 . . ?
C6 C5 H5A 108.9 . . ?
N2 C5 H5B 108.9 . . ?
C6 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
N3 C6 C5 115.8(8) . . ?
N3 C6 H6A 108.3 . . ?
C5 C6 H6A 108.3 . . ?
N3 C6 H6B 108.3 . . ?
C5 C6 H6B 108.3 . . ?
H6A C6 H6B 107.4 . . ?
C6 N3 H3C 109.5 . . ?
C6 N3 H3D 109.5 . . ?
H3C N3 H3D 109.5 . . ?
C6 N3 H3E 109.5 . . ?
H3C N3 H3E 109.5 . . ?
H3D N3 H3E 109.5 . . ?
C12 N6 H6C 109.5 . . ?
C12 N6 H6D 109.5 . . ?
H6C N6 H6D 109.5 . . ?
C12 N6 H6E 109.5 . . ?
H6C N6 H6E 109.5 . . ?
H6D N6 H6E 109.5 . . ?
C8 N5 C10 108.8(5) . . ?
C8 N5 C11 113.7(5) . . ?
C10 N5 C11 109.4(5) . . ?
C8 N5 H5 108.3 . . ?
C10 N5 H5 108.3 . . ?
C11 N5 H5 108.3 . . ?
N6 C12 C11 114.4(5) . . ?
N6 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
N6 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C12 C11 N5 115.3(5) . . ?
C12 C11 H11A 108.4 . . ?
N5 C11 H11A 108.4 . . ?
C12 C11 H11B 108.4 . . ?
N5 C11 H11B 108.4 . . ?
H11A C11 H11B 107.5 . . ?
N4 C7 C8 111.4(5) . . ?
N4 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
N4 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
N5 C8 C7 111.1(5) . . ?
N5 C8 H8A 109.4 . . ?
C7 C8 H8A 109.4 . . ?
N5 C8 H8B 109.4 . . ?
C7 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C9 C10 N5 110.8(5) . . ?
C9 C10 H10A 109.5 . . ?
N5 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
N5 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
N4 C9 C10 110.9(6) . . ?
N4 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 . . ?
N4 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
C9 N4 C7 111.4(5) . . ?
C9 N4 H4C 109.3 . . ?
C7 N4 H4C 109.3 . . ?
C9 N4 H4D 109.3 . . ?
C7 N4 H4D 109.3 . . ?
H4C N4 H4D 108.0 . . ?
H14 O1 H13 113.5 . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         2.896
_refine_diff_density_min         -3.352
_refine_diff_density_rms         0.272
