# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_a21113a
_database_code_depnum_ccdc_archive 'CCDC 2011334'
loop_
_audit_author_name
_audit_author_address
'Jiwei Wang'
;East China University of Science and Technology
China
;
_audit_update_record             
;
2020-06-21 deposited with the CCDC.	2020-09-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H32 Au Cl N2'
_chemical_formula_weight         592.94

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   12.530(6)
_cell_length_b                   12.767(6)
_cell_length_c                   15.210(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2433.3(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    953
_cell_measurement_theta_min      3.133
_cell_measurement_theta_max      26.092

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1168
_exptl_absorpt_coefficient_mu    6.169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2508
_exptl_absorpt_correction_T_max  0.5248
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        6.90
_diffrn_reflns_number            10930
_diffrn_reflns_av_R_equivalents  0.0587
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4778
_reflns_number_gt                4195
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.0349P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.004(9)
_refine_ls_number_reflns         4778
_refine_ls_number_parameters     269
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0730
_refine_ls_wR_factor_gt          0.0715
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_restrained_S_all      0.974
_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
Au1 Au 0.042566(19) 0.320572(17) 0.873451(17) 0.04174(8) Uani 1 1 d . . .
Cl1 Cl -0.01963(18) 0.48093(15) 0.91439(14) 0.0701(6) Uani 1 1 d . . .
N1 N 0.1856(4) 0.1589(4) 0.7994(4) 0.0446(13) Uani 1 1 d . . .
N2 N 0.0386(4) 0.0901(4) 0.8489(3) 0.0418(12) Uani 1 1 d . . .
C1 C 0.0927(5) 0.1807(5) 0.8370(4) 0.0361(12) Uani 1 1 d . . .
C2 C 0.1978(6) 0.0456(5) 0.7810(5) 0.0569(19) Uani 1 1 d . . .
H2A H 0.2649 0.0194 0.8040 0.068 Uiso 1 1 calc R . .
H2B H 0.1947 0.0317 0.7184 0.068 Uiso 1 1 calc R . .
C3 C 0.1038(6) -0.0038(5) 0.8284(4) 0.0526(18) Uani 1 1 d . . .
H3 H 0.0644 -0.0483 0.7871 0.063 Uiso 1 1 calc R . .
C4 C 0.1253(10) -0.0643(8) 0.9106(6) 0.102(4) Uani 1 1 d . . .
H4A H 0.1064 -0.1367 0.8990 0.122 Uiso 1 1 calc R . .
H4B H 0.2018 -0.0627 0.9204 0.122 Uiso 1 1 calc R . .
C5 C 0.0729(6) -0.0339(7) 0.9948(5) 0.065(2) Uani 1 1 d . . .
C6 C -0.0357(7) 0.0131(5) 0.9791(4) 0.0528(17) Uani 1 1 d . . .
C7 C -0.1209(7) -0.0035(6) 1.0349(5) 0.061(2) Uani 1 1 d . . .
H7 H -0.1115 -0.0438 1.0852 0.073 Uiso 1 1 calc R . .
C8 C -0.2186(7) 0.0385(7) 1.0172(5) 0.067(2) Uani 1 1 d . . .
H8 H -0.2752 0.0276 1.0557 0.080 Uiso 1 1 calc R . .
C9 C -0.2333(6) 0.0976(6) 0.9412(5) 0.0568(19) Uani 1 1 d . . .
H9 H -0.3006 0.1254 0.9300 0.068 Uiso 1 1 calc R . .
C10 C -0.1528(5) 0.1165(5) 0.8821(5) 0.0468(15) Uani 1 1 d . . .
C11 C -0.0529(6) 0.0755(5) 0.9047(4) 0.0457(16) Uani 1 1 d . . .
C12 C 0.2618(5) 0.2329(5) 0.7695(4) 0.0438(16) Uani 1 1 d . . .
C13 C 0.2442(6) 0.2822(5) 0.6881(5) 0.0486(17) Uani 1 1 d . . .
C14 C 0.3232(7) 0.3488(5) 0.6574(5) 0.061(2) Uani 1 1 d . . .
H14 H 0.3126 0.3833 0.6042 0.073 Uiso 1 1 calc R . .
C15 C 0.4156(7) 0.3657(7) 0.7022(6) 0.067(2) Uani 1 1 d . . .
C16 C 0.4297(6) 0.3159(6) 0.7810(5) 0.064(2) Uani 1 1 d . . .
H16 H 0.4929 0.3268 0.8117 0.077 Uiso 1 1 calc R . .
C17 C 0.3535(6) 0.2500(6) 0.8166(5) 0.0514(17) Uani 1 1 d . . .
C18 C 0.1445(6) 0.2622(6) 0.6340(6) 0.074(2) Uani 1 1 d . . .
H18A H 0.1242 0.1899 0.6394 0.111 Uiso 1 1 calc R . .
H18B H 0.1585 0.2781 0.5734 0.111 Uiso 1 1 calc R . .
H18C H 0.0875 0.3058 0.6550 0.111 Uiso 1 1 calc R . .
C19 C 0.5011(9) 0.4379(8) 0.6663(7) 0.109(4) Uani 1 1 d . . .
H19A H 0.5691 0.4034 0.6690 0.164 Uiso 1 1 calc R . .
H19B H 0.5034 0.5008 0.7008 0.164 Uiso 1 1 calc R . .
H19C H 0.4849 0.4552 0.6063 0.164 Uiso 1 1 calc R . .
C20 C 0.3696(7) 0.2022(6) 0.9054(5) 0.066(2) Uani 1 1 d . . .
H20A H 0.3188 0.2312 0.9459 0.099 Uiso 1 1 calc R . .
H20B H 0.4406 0.2170 0.9256 0.099 Uiso 1 1 calc R . .
H20C H 0.3596 0.1278 0.9017 0.099 Uiso 1 1 calc R . .
C21 C 0.1392(9) 0.0570(9) 1.0384(7) 0.102(3) Uani 1 1 d . . .
H21A H 0.2117 0.0347 1.0462 0.153 Uiso 1 1 calc R . .
H21B H 0.1087 0.0741 1.0945 0.153 Uiso 1 1 calc R . .
H21C H 0.1374 0.1176 1.0010 0.153 Uiso 1 1 calc R . .
C22 C 0.0716(10) -0.1202(11) 1.0587(9) 0.163(7) Uani 1 1 d . . .
H22A H 0.0693 -0.1858 1.0280 0.244 Uiso 1 1 calc R . .
H22B H 0.0099 -0.1139 1.0956 0.244 Uiso 1 1 calc R . .
H22C H 0.1349 -0.1172 1.0942 0.244 Uiso 1 1 calc R . .
C23 C -0.1719(5) 0.1694(6) 0.7936(4) 0.0531(17) Uani 1 1 d . . .
H23 H -0.1023 0.1912 0.7706 0.064 Uiso 1 1 calc R . .
C24 C -0.2411(8) 0.2673(7) 0.8013(7) 0.093(3) Uani 1 1 d . . .
H24A H -0.2982 0.2545 0.8419 0.139 Uiso 1 1 calc R . .
H24B H -0.2701 0.2844 0.7447 0.139 Uiso 1 1 calc R . .
H24C H -0.1984 0.3246 0.8221 0.139 Uiso 1 1 calc R . .
C25 C -0.2187(10) 0.0911(8) 0.7293(5) 0.092(3) Uani 1 1 d . . .
H25A H -0.1689 0.0350 0.7202 0.138 Uiso 1 1 calc R . .
H25B H -0.2329 0.1253 0.6744 0.138 Uiso 1 1 calc R . .
H25C H -0.2840 0.0634 0.7528 0.138 Uiso 1 1 calc 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
Au1 C1 1.972(6) . ?
Au1 Cl1 2.278(2) . ?
N1 C1 1.327(7) . ?
N1 C12 1.418(8) . ?
N1 C2 1.482(8) . ?
N2 C1 1.352(8) . ?
N2 C11 1.438(8) . ?
N2 C3 1.484(8) . ?
C2 C3 1.519(10) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.494(10) . ?
C3 H3 0.9800 . ?
C4 C5 1.491(11) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C22 1.469(12) . ?
C5 C6 1.506(11) . ?
C5 C21 1.573(13) . ?
C6 C7 1.380(10) . ?
C6 C11 1.401(9) . ?
C7 C8 1.364(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.393(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.400(10) . ?
C10 C23 1.524(10) . ?
C12 C17 1.372(10) . ?
C12 C13 1.407(10) . ?
C13 C14 1.385(10) . ?
C13 C18 1.518(10) . ?
C14 C15 1.361(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.368(12) . ?
C15 C19 1.515(12) . ?
C16 C17 1.383(10) . ?
C16 H16 0.9300 . ?
C17 C20 1.496(10) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C25 1.517(11) . ?
C23 C24 1.525(11) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?

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
C1 Au1 Cl1 178.51(19) . . ?
C1 N1 C12 126.2(5) . . ?
C1 N1 C2 112.1(6) . . ?
C12 N1 C2 121.3(5) . . ?
C1 N2 C11 126.1(5) . . ?
C1 N2 C3 112.8(5) . . ?
C11 N2 C3 117.3(5) . . ?
N1 C1 N2 108.5(5) . . ?
N1 C1 Au1 126.2(5) . . ?
N2 C1 Au1 125.3(4) . . ?
N1 C2 C3 103.6(6) . . ?
N1 C2 H2A 111.0 . . ?
C3 C2 H2A 111.0 . . ?
N1 C2 H2B 111.0 . . ?
C3 C2 H2B 111.0 . . ?
H2A C2 H2B 109.0 . . ?
N2 C3 C4 110.0(6) . . ?
N2 C3 C2 101.0(5) . . ?
C4 C3 C2 118.1(8) . . ?
N2 C3 H3 109.1 . . ?
C4 C3 H3 109.1 . . ?
C2 C3 H3 109.1 . . ?
C5 C4 C3 120.3(7) . . ?
C5 C4 H4A 107.3 . . ?
C3 C4 H4A 107.3 . . ?
C5 C4 H4B 107.3 . . ?
C3 C4 H4B 107.3 . . ?
H4A C4 H4B 106.9 . . ?
C22 C5 C4 112.2(10) . . ?
C22 C5 C6 113.2(8) . . ?
C4 C5 C6 111.5(7) . . ?
C22 C5 C21 106.2(8) . . ?
C4 C5 C21 108.8(8) . . ?
C6 C5 C21 104.4(7) . . ?
C7 C6 C11 117.7(8) . . ?
C7 C6 C5 122.7(6) . . ?
C11 C6 C5 119.6(7) . . ?
C8 C7 C6 120.9(7) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 119.7(7) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C10 C9 C8 122.8(8) . . ?
C10 C9 H9 118.6 . . ?
C8 C9 H9 118.6 . . ?
C9 C10 C11 115.5(7) . . ?
C9 C10 C23 122.7(6) . . ?
C11 C10 C23 121.5(6) . . ?
C10 C11 C6 123.3(7) . . ?
C10 C11 N2 121.3(6) . . ?
C6 C11 N2 115.3(7) . . ?
C17 C12 C13 121.3(7) . . ?
C17 C12 N1 120.2(6) . . ?
C13 C12 N1 118.3(6) . . ?
C14 C13 C12 117.4(7) . . ?
C14 C13 C18 120.6(7) . . ?
C12 C13 C18 122.0(7) . . ?
C15 C14 C13 122.4(7) . . ?
C15 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C14 C15 C16 118.4(7) . . ?
C14 C15 C19 121.1(9) . . ?
C16 C15 C19 120.4(9) . . ?
C15 C16 C17 122.4(7) . . ?
C15 C16 H16 118.8 . . ?
C17 C16 H16 118.8 . . ?
C12 C17 C16 118.1(7) . . ?
C12 C17 C20 121.3(7) . . ?
C16 C17 C20 120.6(7) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C5 C21 H21A 109.5 . . ?
C5 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C5 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C5 C22 H22A 109.5 . . ?
C5 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C5 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C10 109.7(6) . . ?
C25 C23 C24 111.7(7) . . ?
C10 C23 C24 112.7(6) . . ?
C25 C23 H23 107.5 . . ?
C10 C23 H23 107.5 . . ?
C24 C23 H23 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 N1 C1 N2 174.6(6) . . . . ?
C2 N1 C1 N2 1.6(7) . . . . ?
C12 N1 C1 Au1 -7.3(9) . . . . ?
C2 N1 C1 Au1 179.7(5) . . . . ?
C11 N2 C1 N1 164.8(6) . . . . ?
C3 N2 C1 N1 7.7(7) . . . . ?
C11 N2 C1 Au1 -13.3(8) . . . . ?
C3 N2 C1 Au1 -170.4(4) . . . . ?
Cl1 Au1 C1 N1 142(6) . . . . ?
Cl1 Au1 C1 N2 -40(7) . . . . ?
C1 N1 C2 C3 -9.6(8) . . . . ?
C12 N1 C2 C3 177.0(6) . . . . ?
C1 N2 C3 C4 112.5(8) . . . . ?
C11 N2 C3 C4 -46.7(9) . . . . ?
C1 N2 C3 C2 -13.1(7) . . . . ?
C11 N2 C3 C2 -172.3(5) . . . . ?
N1 C2 C3 N2 12.6(7) . . . . ?
N1 C2 C3 C4 -107.3(7) . . . . ?
N2 C3 C4 C5 6.9(13) . . . . ?
C2 C3 C4 C5 122.0(10) . . . . ?
C3 C4 C5 C22 159.5(11) . . . . ?
C3 C4 C5 C6 31.3(14) . . . . ?
C3 C4 C5 C21 -83.3(12) . . . . ?
C22 C5 C6 C7 16.1(13) . . . . ?
C4 C5 C6 C7 143.7(8) . . . . ?
C21 C5 C6 C7 -99.0(8) . . . . ?
C22 C5 C6 C11 -163.1(9) . . . . ?
C4 C5 C6 C11 -35.5(11) . . . . ?
C21 C5 C6 C11 81.8(8) . . . . ?
C11 C6 C7 C8 0.9(11) . . . . ?
C5 C6 C7 C8 -178.4(7) . . . . ?
C6 C7 C8 C9 1.0(12) . . . . ?
C7 C8 C9 C10 -0.3(12) . . . . ?
C8 C9 C10 C11 -2.2(10) . . . . ?
C8 C9 C10 C23 172.2(7) . . . . ?
C9 C10 C11 C6 4.2(9) . . . . ?
C23 C10 C11 C6 -170.3(6) . . . . ?
C9 C10 C11 N2 -179.7(6) . . . . ?
C23 C10 C11 N2 5.8(9) . . . . ?
C7 C6 C11 C10 -3.6(10) . . . . ?
C5 C6 C11 C10 175.7(7) . . . . ?
C7 C6 C11 N2 -179.9(6) . . . . ?
C5 C6 C11 N2 -0.7(9) . . . . ?
C1 N2 C11 C10 72.2(8) . . . . ?
C3 N2 C11 C10 -131.6(7) . . . . ?
C1 N2 C11 C6 -111.4(7) . . . . ?
C3 N2 C11 C6 44.8(7) . . . . ?
C1 N1 C12 C17 104.9(8) . . . . ?
C2 N1 C12 C17 -82.6(8) . . . . ?
C1 N1 C12 C13 -79.3(8) . . . . ?
C2 N1 C12 C13 93.1(8) . . . . ?
C17 C12 C13 C14 -0.1(10) . . . . ?
N1 C12 C13 C14 -175.7(6) . . . . ?
C17 C12 C13 C18 178.5(7) . . . . ?
N1 C12 C13 C18 2.8(10) . . . . ?
C12 C13 C14 C15 1.2(11) . . . . ?
C18 C13 C14 C15 -177.4(7) . . . . ?
C13 C14 C15 C16 -0.9(12) . . . . ?
C13 C14 C15 C19 179.1(8) . . . . ?
C14 C15 C16 C17 -0.4(13) . . . . ?
C19 C15 C16 C17 179.5(8) . . . . ?
C13 C12 C17 C16 -1.2(10) . . . . ?
N1 C12 C17 C16 174.4(6) . . . . ?
C13 C12 C17 C20 176.6(6) . . . . ?
N1 C12 C17 C20 -7.8(10) . . . . ?
C15 C16 C17 C12 1.5(12) . . . . ?
C15 C16 C17 C20 -176.3(8) . . . . ?
C9 C10 C23 C25 -78.3(9) . . . . ?
C11 C10 C23 C25 95.8(8) . . . . ?
C9 C10 C23 C24 46.8(10) . . . . ?
C11 C10 C23 C24 -139.1(7) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.418
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.117

