Chemical and biological studies of the dichloro(2-phenylpyridine) gold(iii) complex and its derivativesElectronic supplementary information (ESI) available: 1H?1H COSY spectrum of 5 in DMSO-d6. See http://www.rsc.org/suppdata/dt/b3/b303297c/
Fan, Daming; Yang, Chang-Tong; Ranford, John D.; Lee, Peng Foo; Vittal, Jagadese J.; Dalton Transactions  (2003) 2680–; doi:10.1039/b303297c

data_7012988
_publ_section_title
;
 Chemical and biological studies of the dichloro(2-phenylpyridine)
 gold(iii) complex and its derivativesElectronic supplementary
 information (ESI) available: 1H?1H COSY spectrum of 5 in DMSO-d6. See
 http://www.rsc.org/suppdata/dt/b3/b303297c/
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2680
_journal_paper_doi               10.1039/b303297c
_journal_year                    2003
_chemical_formula_sum            'C17 H14 Au N O4'
_chemical_formula_weight         493.26
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 101.3880(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.5342(2)
_cell_length_b                   21.1840(6)
_cell_length_c                   10.7191(3)
_cell_measurement_reflns_used    5061
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.39
_cell_measurement_theta_min      2.16
_cell_volume                     1454.53(7)
_computing_cell_refinement       'Bruker AXS, SAINT'
_computing_data_collection       'Bruker AXS, SMART'
_computing_data_reduction        'Bruker AXS, SAINT'
_computing_molecular_graphics    'Bruker AXS, SHELXTL'
_computing_publication_material  'Bruker AXS, SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.871
_diffrn_measured_fraction_theta_max 0.871
_diffrn_measurement_method       '\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  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9349
_diffrn_reflns_theta_full        29.39
_diffrn_reflns_theta_max         29.39
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    10.135
_exptl_absorpt_correction_T_max  0.6429
_exptl_absorpt_correction_T_min  0.4054
_exptl_absorpt_correction_type   'sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.252
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       'rectangular blocks'
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.-4
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       0.00029(10)
_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   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3486
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0178P)^2^+1.1767P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0515
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                2966
_reflns_number_total             3486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303297c.txt
_cod_data_source_block           9928
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7012988