Chemical and biological studies of gold(iii) complexes with uninegative bidentate N?N ligandsElectronic supplementary information (ESI) available: Least-squares planes and dihedral angles. See http://www.rsc.org/suppdata/dt/b3/b309310g/
Fan, Daming; Yang, Chang-Tong; Ranford, John D.; Vittal, Jagadese J.; Dalton Transactions  (2003) 4749–; doi:10.1039/b309310g

data_7013507
_publ_section_title
;
 Chemical and biological studies of gold(iii) complexes with
 uninegative bidentate N?N ligandsElectronic supplementary information
 (ESI) available: Least-squares planes and dihedral angles. See
 http://www.rsc.org/suppdata/dt/b3/b309310g/
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4749
_journal_paper_doi               10.1039/b309310g
_journal_year                    2003
_chemical_formula_sum            'C6 H6 Au2 Cl4 N4'
_chemical_formula_weight         669.88
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.185(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7067(1)
_cell_length_b                   11.3016(2)
_cell_length_c                   11.9686(2)
_cell_measurement_reflns_used    5087
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.18
_cell_measurement_theta_min      2.48
_cell_volume                     1312.96(3)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  'SHELXTL (Siemens, 1996)'
_computing_structure_refinement  'SHELXTL (Siemens, 1996)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.896
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_device       'Siemens SMART CCD System'
_diffrn_measurement_method       'frames \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7989
_diffrn_reflns_theta_full        29.18
_diffrn_reflns_theta_max         29.18
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    23.112
_exptl_absorpt_correction_T_max  0.1060
_exptl_absorpt_correction_T_min  0.0372
_exptl_absorpt_correction_type   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'golden yellow'
_exptl_crystal_density_diffrn    3.389
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'rectangular blocks'
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.676
_refine_diff_density_min         -1.502
_refine_diff_density_rms         0.248
_refine_ls_extinction_coef       0.00217(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         3190
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0793
_reflns_number_gt                2631
_reflns_number_total             3190
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b309310g.txt
_cod_data_source_block           jdr47
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7013507