data_publication_text
_publ_contact_author_name        'Rosenani A. Haque'
_publ_contact_author_address     
;School of Chemical Sciences
Universiti Sains Malaysia
11800 USM
Penang
Malaysia
;
_publ_contact_author_email       rosenani@usm.my
_publ_contact_author_phone       +604-6533578
loop_
_publ_author_name
_publ_author_address
'Salman, Abbas Washeel'
;School of Chemical Sciences
Universiti Sains Malaysia
11800 USM
Penang
Malaysia

;
'A. Haque, Rosenani'
;School of Chemical Sciences
Universiti Sains Malaysia
11800 USM
Penang
Malaysia
; 
data_abag_0m 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C22 H24 Ag Cl N4' 
_chemical_formula_weight          487.77 
 
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' 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'trigonal' 
_symmetry_space_group_name_H-M    'R-3c' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 'y, x, -z+1/2' 
 'x-y, -y, -z+1/2' 
 '-x, -x+y, -z+1/2' 
 'x+2/3, y+1/3, z+1/3' 
 '-y+2/3, x-y+1/3, z+1/3' 
 '-x+y+2/3, -x+1/3, z+1/3' 
 'y+2/3, x+1/3, -z+5/6' 
 'x-y+2/3, -y+1/3, -z+5/6' 
 '-x+2/3, -x+y+1/3, -z+5/6' 
 'x+1/3, y+2/3, z+2/3' 
 '-y+1/3, x-y+2/3, z+2/3' 
 '-x+y+1/3, -x+2/3, z+2/3' 
 'y+1/3, x+2/3, -z+7/6' 
 'x-y+1/3, -y+2/3, -z+7/6' 
 '-x+1/3, -x+y+2/3, -z+7/6' 
 '-x, -y, -z' 
 'y, -x+y, -z' 
 'x-y, x, -z' 
 '-y, -x, z-1/2' 
 '-x+y, y, z-1/2' 
 'x, x-y, z-1/2' 
 '-x+2/3, -y+1/3, -z+1/3' 
 'y+2/3, -x+y+1/3, -z+1/3' 
 'x-y+2/3, x+1/3, -z+1/3' 
 '-y+2/3, -x+1/3, z-1/6' 
 '-x+y+2/3, y+1/3, z-1/6' 
 'x+2/3, x-y+1/3, z-1/6' 
 '-x+1/3, -y+2/3, -z+2/3' 
 'y+1/3, -x+y+2/3, -z+2/3' 
 'x-y+1/3, x+2/3, -z+2/3' 
 '-y+1/3, -x+2/3, z+1/6' 
 '-x+y+1/3, y+2/3, z+1/6' 
 'x+1/3, x-y+2/3, z+1/6' 
 
_cell_length_a                    12.8985(3) 
_cell_length_b                    12.8985(3) 
_cell_length_c                    68.2152(16) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      9828.6(4) 
_cell_formula_units_Z             18 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.33 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.23 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.483 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              4464 
_exptl_absorpt_coefficient_mu     1.059 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.7219 
_exptl_absorpt_correction_T_max   0.7919 
_exptl_absorpt_process_details    ? 
 
_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   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             93204 
_diffrn_reflns_av_R_equivalents   0.0330 
_diffrn_reflns_av_sigmaI/netI     0.0122 
_diffrn_reflns_limit_h_min        -20 
_diffrn_reflns_limit_h_max        20 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -108 
_diffrn_reflns_limit_l_max        104 
_diffrn_reflns_theta_min          1.79 
_diffrn_reflns_theta_max          34.41 
_reflns_number_total              4615 
_reflns_number_gt                 3496 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0346P)^2^+5.0908P] where P=(Fo^2^+2Fc^2^)/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          4615 
_refine_ls_number_parameters      193 
_refine_ls_number_restraints      339 
_refine_ls_R_factor_all           0.0421 
_refine_ls_R_factor_gt            0.0279 
_refine_ls_wR_factor_ref          0.0749 
_refine_ls_wR_factor_gt           0.0676 
_refine_ls_goodness_of_fit_ref    1.047 
_refine_ls_restrained_S_all       1.027 
_refine_ls_shift/su_max           0.000 
_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 
Ag1 Ag 0.6667 0.101110(11) 0.0833 0.04622(5) Uani 1 2 d S . . 
N1 N 0.69024(10) 0.13832(10) 0.038078(16) 0.0404(2) Uani 1 1 d . . . 
N2 N 0.54733(10) -0.03627(10) 0.044526(17) 0.0454(2) Uani 1 1 d . . . 
C1 C 0.63153(12) 0.06513(12) 0.053222(19) 0.0398(2) Uani 1 1 d . A . 
C2 C 0.55320(13) -0.02709(14) 0.02444(2) 0.0528(3) Uani 1 1 d . A . 
H2A H 0.5043 -0.0856 0.0155 0.063 Uiso 1 1 calc R . . 
C3 C 0.64352(14) 0.08298(14) 0.02031(2) 0.0512(3) Uani 1 1 d . A . 
H3A H 0.6696 0.1157 0.0079 0.061 Uiso 1 1 calc R . . 
C4 C 0.7933(7) 0.2634(9) 0.04041(17) 0.0440(10) Uani 0.62(3) 1 d PDU A 1 
H4A H 0.7970 0.3127 0.0294 0.053 Uiso 0.62(3) 1 calc PR A 1 
H4B H 0.7847 0.2991 0.0524 0.053 Uiso 0.62(3) 1 calc PR A 1 
C5 C 0.9039(11) 0.2535(15) 0.04125(10) 0.0503(15) Uani 0.62(3) 1 d PDU A 1 
C6 C 0.9654(10) 0.2582(13) 0.02450(13) 0.085(2) Uani 0.62(3) 1 d PDU A 1 
H6A H 0.9381 0.2689 0.0125 0.102 Uiso 0.62(3) 1 calc PR A 1 
C7 C 1.0661(10) 0.2476(14) 0.02509(16) 0.116(3) Uani 0.62(3) 1 d PDU A 1 
H7A H 1.1055 0.2505 0.0135 0.139 Uiso 0.62(3) 1 calc PR A 1 
C8 C 1.1081(12) 0.2330(17) 0.0421(2) 0.123(3) Uani 0.62(3) 1 d PDU A 1 
H8A H 1.1689 0.2142 0.0424 0.148 Uiso 0.62(3) 1 calc PR A 1 
C9 C 1.0599(8) 0.2463(12) 0.05919(17) 0.125(3) Uani 0.62(3) 1 d PDU A 1 
H9A H 1.0945 0.2463 0.0712 0.150 Uiso 0.62(3) 1 calc PR A 1 
C10 C 0.9591(7) 0.2597(10) 0.05868(13) 0.091(2) Uani 0.62(3) 1 d PDU A 1 
H10A H 0.9294 0.2729 0.0702 0.110 Uiso 0.62(3) 1 calc PR A 1 
C4X C 0.7979(14) 0.2474(15) 0.0395(3) 0.053(3) Uani 0.38(3) 1 d PDU A 2 
H4XA H 0.7908 0.2903 0.0506 0.063 Uiso 0.38(3) 1 calc PR A 2 
H4XB H 0.8044 0.2937 0.0279 0.063 Uiso 0.38(3) 1 calc PR A 2 
C5X C 0.9142(17) 0.248(3) 0.0417(2) 0.053(2) Uani 0.38(3) 1 d PDU A 2 
C6X C 0.9668(17) 0.229(2) 0.0257(2) 0.083(3) Uani 0.38(3) 1 d PDU A 2 
H6XA H 0.9393 0.2316 0.0132 0.100 Uiso 0.38(3) 1 calc PR A 2 
C7X C 1.0593(15) 0.206(2) 0.0278(3) 0.112(4) Uani 0.38(3) 1 d PDU A 2 
H7XA H 1.0880 0.1874 0.0166 0.135 Uiso 0.38(3) 1 calc PR A 2 
C8X C 1.109(2) 0.209(3) 0.0445(3) 0.111(4) Uani 0.38(3) 1 d PDU A 2 
H8XA H 1.1827 0.2132 0.0454 0.133 Uiso 0.38(3) 1 calc PR A 2 
C9X C 1.0449(12) 0.2061(19) 0.0604(2) 0.117(4) Uani 0.38(3) 1 d PDU A 2 
H9XA H 1.0679 0.1933 0.0727 0.140 Uiso 0.38(3) 1 calc PR A 2 
C10X C 0.9460(11) 0.2216(19) 0.05898(17) 0.081(3) Uani 0.38(3) 1 d PDU A 2 
H10B H 0.9011 0.2136 0.0701 0.098 Uiso 0.38(3) 1 calc PR A 2 
C11 C 0.45828(19) -0.14202(15) 0.05500(3) 0.0739(5) Uani 1 1 d . A . 
H11A H 0.4971 -0.1632 0.0649 0.111 Uiso 1 1 calc R . . 
H11B H 0.4181 -0.2073 0.0460 0.111 Uiso 1 1 calc R . . 
H11C H 0.4010 -0.1252 0.0610 0.111 Uiso 1 1 calc R . . 
Cl1 Cl 0.6667 0.3333 0.0833 0.04346(14) Uani 1 6 d S . . 
Cl2 Cl 0.3333 0.6667 0.008022(9) 0.05192(13) Uani 1 3 d S . . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Ag1 0.04982(9) 0.04884(7) 0.04032(8) -0.00248(3) -0.00495(5) 0.02491(4) 
N1 0.0445(5) 0.0372(5) 0.0432(5) -0.0009(4) -0.0030(4) 0.0232(4) 
N2 0.0465(6) 0.0373(5) 0.0493(6) -0.0042(4) -0.0055(5) 0.0187(4) 
C1 0.0445(6) 0.0362(5) 0.0418(6) -0.0027(5) -0.0043(5) 0.0224(5) 
C2 0.0543(8) 0.0553(8) 0.0476(7) -0.0116(6) -0.0124(6) 0.0265(7) 
C3 0.0590(8) 0.0594(8) 0.0404(6) -0.0037(6) -0.0074(6) 0.0335(7) 
C4 0.051(2) 0.025(2) 0.0543(19) -0.0022(17) 0.0061(14) 0.0177(14) 
C5 0.046(3) 0.042(3) 0.047(2) 0.0050(18) 0.0017(17) 0.010(2) 
C6 0.070(3) 0.119(7) 0.076(3) 0.030(3) 0.026(2) 0.055(3) 
C7 0.082(4) 0.139(8) 0.133(4) 0.022(4) 0.044(3) 0.061(4) 
C8 0.051(3) 0.112(7) 0.193(6) 0.044(5) -0.004(4) 0.032(3) 
C9 0.068(3) 0.122(6) 0.136(4) 0.057(4) -0.031(3) 0.010(3) 
C10 0.066(2) 0.088(4) 0.079(3) 0.013(3) -0.019(2) 0.008(3) 
C4X 0.073(4) 0.032(4) 0.063(4) -0.003(3) 0.006(3) 0.034(3) 
C5X 0.037(3) 0.039(4) 0.075(5) 0.002(4) 0.003(3) 0.014(3) 
C6X 0.074(5) 0.103(9) 0.083(5) 0.002(5) 0.008(4) 0.052(5) 
C7X 0.067(5) 0.129(11) 0.156(7) 0.001(7) 0.020(5) 0.059(6) 
C8X 0.057(5) 0.114(10) 0.174(8) 0.031(8) 0.008(5) 0.051(6) 
C9X 0.053(4) 0.149(10) 0.136(6) 0.085(6) 0.009(4) 0.041(6) 
C10X 0.055(4) 0.117(9) 0.065(4) 0.029(5) 0.010(3) 0.038(5) 
C11 0.0762(12) 0.0438(8) 0.0737(11) 0.0027(7) 0.0021(9) 0.0089(8) 
Cl1 0.0420(2) 0.0420(2) 0.0464(4) 0.000 0.000 0.02100(10) 
Cl2 0.05338(19) 0.05338(19) 0.0490(3) 0.000 0.000 0.02669(10) 
 
_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 
Ag1 C1 2.1045(13) 18_654 ? 
Ag1 C1 2.1047(13) . ? 
N1 C1 1.3479(18) . ? 
N1 C3 1.3825(18) . ? 
N1 C4X 1.401(17) . ? 
N1 C4 1.501(9) . ? 
N2 C1 1.3497(17) . ? 
N2 C2 1.3742(18) . ? 
N2 C11 1.457(2) . ? 
C2 C3 1.341(2) . ? 
C2 H2A 0.9300 . ? 
C3 H3A 0.9300 . ? 
C4 C5 1.495(7) . ? 
C4 H4A 0.9700 . ? 
C4 H4B 0.9700 . ? 
C5 C10 1.368(7) . ? 
C5 C6 1.375(7) . ? 
C6 C7 1.374(8) . ? 
C6 H6A 0.9300 . ? 
C7 C8 1.333(9) . ? 
C7 H7A 0.9300 . ? 
C8 C9 1.371(9) . ? 
C8 H8A 0.9300 . ? 
C9 C10 1.395(9) . ? 
C9 H9A 0.9300 . ? 
C10 H10A 0.9300 . ? 
C4X C5X 1.504(11) . ? 
C4X H4XA 0.9700 . ? 
C4X H4XB 0.9700 . ? 
C5X C10X 1.348(12) . ? 
C5X C6X 1.369(12) . ? 
C6X C7X 1.373(11) . ? 
C6X H6XA 0.9300 . ? 
C7X C8X 1.295(12) . ? 
C7X H7XA 0.9300 . ? 
C8X C9X 1.352(12) . ? 
C8X H8XA 0.9300 . ? 
C9X C10X 1.390(10) . ? 
C9X H9XA 0.9300 . ? 
C10X H10B 0.9300 . ? 
C11 H11A 0.9600 . ? 
C11 H11B 0.9600 . ? 
C11 H11C 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 Ag1 C1 167.04(7) 18_654 . ? 
C1 N1 C3 111.29(12) . . ? 
C1 N1 C4X 125.3(9) . . ? 
C3 N1 C4X 122.4(9) . . ? 
C1 N1 C4 123.9(4) . . ? 
C3 N1 C4 124.9(4) . . ? 
C4X N1 C4 9.1(8) . . ? 
C1 N2 C2 111.82(11) . . ? 
C1 N2 C11 124.56(13) . . ? 
C2 N2 C11 123.59(12) . . ? 
N1 C1 N2 103.88(11) . . ? 
N1 C1 Ag1 127.58(10) . . ? 
N2 C1 Ag1 128.52(10) . . ? 
C3 C2 N2 106.37(12) . . ? 
C3 C2 H2A 126.8 . . ? 
N2 C2 H2A 126.8 . . ? 
C2 C3 N1 106.63(13) . . ? 
C2 C3 H3A 126.7 . . ? 
N1 C3 H3A 126.7 . . ? 
C5 C4 N1 106.4(9) . . ? 
C5 C4 H4A 110.5 . . ? 
N1 C4 H4A 110.5 . . ? 
C5 C4 H4B 110.5 . . ? 
N1 C4 H4B 110.5 . . ? 
H4A C4 H4B 108.6 . . ? 
C10 C5 C6 116.6(7) . . ? 
C10 C5 C4 121.3(7) . . ? 
C6 C5 C4 121.2(7) . . ? 
C7 C6 C5 121.7(7) . . ? 
C7 C6 H6A 119.2 . . ? 
C5 C6 H6A 119.2 . . ? 
C8 C7 C6 120.7(7) . . ? 
C8 C7 H7A 119.7 . . ? 
C6 C7 H7A 119.7 . . ? 
C7 C8 C9 118.8(8) . . ? 
C7 C8 H8A 120.6 . . ? 
C9 C8 H8A 120.6 . . ? 
C8 C9 C10 120.2(7) . . ? 
C8 C9 H9A 119.9 . . ? 
C10 C9 H9A 119.9 . . ? 
C5 C10 C9 120.3(8) . . ? 
C5 C10 H10A 119.8 . . ? 
C9 C10 H10A 119.8 . . ? 
N1 C4X C5X 119.8(15) . . ? 
N1 C4X H4XA 107.4 . . ? 
C5X C4X H4XA 107.4 . . ? 
N1 C4X H4XB 107.4 . . ? 
C5X C4X H4XB 107.4 . . ? 
H4XA C4X H4XB 106.9 . . ? 
C10X C5X C6X 114.4(12) . . ? 
C10X C5X C4X 120.9(13) . . ? 
C6X C5X C4X 120.2(13) . . ? 
C5X C6X C7X 121.1(12) . . ? 
C5X C6X H6XA 119.5 . . ? 
C7X C6X H6XA 119.5 . . ? 
C8X C7X C6X 123.6(13) . . ? 
C8X C7X H7XA 118.2 . . ? 
C6X C7X H7XA 118.2 . . ? 
C7X C8X C9X 114.9(13) . . ? 
C7X C8X H8XA 122.6 . . ? 
C9X C8X H8XA 122.6 . . ? 
C8X C9X C10X 122.0(11) . . ? 
C8X C9X H9XA 119.0 . . ? 
C10X C9X H9XA 119.0 . . ? 
C5X C10X C9X 120.9(10) . . ? 
C5X C10X H10B 119.6 . . ? 
C9X C10X H10B 119.6 . . ? 
N2 C11 H11A 109.5 . . ? 
N2 C11 H11B 109.5 . . ? 
H11A C11 H11B 109.5 . . ? 
N2 C11 H11C 109.5 . . ? 
H11A C11 H11C 109.5 . . ? 
H11B C11 H11C 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 
C3 N1 C1 N2 -0.25(14) . . . . ? 
C4X N1 C1 N2 -169.1(7) . . . . ? 
C4 N1 C1 N2 -180.0(4) . . . . ? 
C3 N1 C1 Ag1 178.63(9) . . . . ? 
C4X N1 C1 Ag1 9.8(7) . . . . ? 
C4 N1 C1 Ag1 -1.1(4) . . . . ? 
C2 N2 C1 N1 0.13(15) . . . . ? 
C11 N2 C1 N1 -178.20(15) . . . . ? 
C2 N2 C1 Ag1 -178.74(10) . . . . ? 
C11 N2 C1 Ag1 2.9(2) . . . . ? 
C1 Ag1 C1 N1 -128.30(11) 18_654 . . . ? 
C1 Ag1 C1 N2 50.31(11) 18_654 . . . ? 
C1 N2 C2 C3 0.04(17) . . . . ? 
C11 N2 C2 C3 178.39(15) . . . . ? 
N2 C2 C3 N1 -0.19(16) . . . . ? 
C1 N1 C3 C2 0.28(16) . . . . ? 
C4X N1 C3 C2 169.5(7) . . . . ? 
C4 N1 C3 C2 -180.0(4) . . . . ? 
C1 N1 C4 C5 88.5(7) . . . . ? 
C3 N1 C4 C5 -91.2(7) . . . . ? 
C4X N1 C4 C5 -14(8) . . . . ? 
N1 C4 C5 C10 -101.6(14) . . . . ? 
N1 C4 C5 C6 89.6(15) . . . . ? 
C10 C5 C6 C7 12(2) . . . . ? 
C4 C5 C6 C7 -179.1(12) . . . . ? 
C5 C6 C7 C8 -0.5(19) . . . . ? 
C6 C7 C8 C9 -9(2) . . . . ? 
C7 C8 C9 C10 8(2) . . . . ? 
C6 C5 C10 C9 -12.8(18) . . . . ? 
C4 C5 C10 C9 177.9(10) . . . . ? 
C8 C9 C10 C5 3.4(15) . . . . ? 
C1 N1 C4X C5X 77.8(17) . . . . ? 
C3 N1 C4X C5X -89.9(16) . . . . ? 
C4 N1 C4X C5X 162(10) . . . . ? 
N1 C4X C5X C10X -76(3) . . . . ? 
N1 C4X C5X C6X 78(3) . . . . ? 
C10X C5X C6X C7X -11(3) . . . . ? 
C4X C5X C6X C7X -167.3(19) . . . . ? 
C5X C6X C7X C8X -5(3) . . . . ? 
C6X C7X C8X C9X 16(3) . . . . ? 
C7X C8X C9X C10X -12(3) . . . . ? 
C6X C5X C10X C9X 15(3) . . . . ? 
C4X C5X C10X C9X 171.2(17) . . . . ? 
C8X C9X C10X C5X -4(3) . . . . ? 
 
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              34.41 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.251 
_refine_diff_density_min   -0.415 
_refine_diff_density_rms    0.061