Bromido(2,2':6',2''-terpyridine)platinum(II) dibromidoaurate(I) dimethyl sulfoxide solvate
Kahn, Michael I.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.; Acta Crystallographica Section E 65 (2009) m1135–; doi:10.1107/S1600536809033248

data_2223039
_publ_section_title
;
 Bromido(2,2':6',2''-terpyridine)platinum(II) dibromidoaurate(I)
 dimethyl sulfoxide solvate
;
_journal_coeditor_code           CV2602
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1135
_journal_paper_doi               10.1107/S1600536809033248
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pt Br (C15 H11 N3)] [Au Br2], C2 H6 O S'
_chemical_formula_moiety         'C15 H11 Br N3 Pt +, Au Br2 -, C2 H6 O S'
_chemical_formula_sum            'C17 H17 Au Br3 N3 O Pt S'
_chemical_formula_weight         943.18
_chemical_name_systematic
;
Bromido(2,2':6',2''-terpyridine)platinum(II) dibromidoaurate(I)
dimethyl sulfoxide solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                81.905(2)
_cell_angle_beta                 87.675(2)
_cell_angle_gamma                68.532(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1463(11)
_cell_length_b                   10.0930(14)
_cell_length_c                   13.9624(19)
_cell_measurement_reflns_used    5521
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      28.18
_cell_measurement_theta_min      2.47
_cell_volume                     1057.6(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0191
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7511
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.19
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    19.313
_exptl_absorpt_correction_T_max  0.1597
_exptl_absorpt_correction_T_min  0.0683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.962
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.005
_refine_diff_density_min         -4.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         4826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0394
_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^)+(0.0756P)^2^] P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                4312
_reflns_number_total             4826
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2602.cif
_cod_data_source_block           I
_cod_database_code               2223039
_cod_database_fobs_code          2223039