Metallophilic interactions in iodido(2,2':6',2''-terpyridine)platinum(II) diiodidoaurate(I)
Angle, Christina S.; Woolard, Kathryn J.; Kahn, Michael I.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.; Acta Crystallographica Section C 63 (2007) m231–m234; doi:10.1107/S0108270107015843

data_2015990
_publ_section_title
;
 Metallophilic interactions in
 iodido(2,2':6',2''-terpyridine)platinum(II) diiodidoaurate(I)
;
_journal_coeditor_code           GG3082
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m231
_journal_page_last               m234
_journal_paper_doi               10.1107/S0108270107015843
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt I (C15 H11 N3)] [Au I2]'
_chemical_formula_moiety         'C15 H11 I N3 Pt +, Au I2 -'
_chemical_formula_sum            'C15 H11 Au I3 N3 Pt'
_chemical_formula_weight         1006.02
_chemical_name_systematic
;
iodido(2,2':6',2''-terpyridine)platinum(II) diiodidoaurate(I)
;
_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                84.0850(10)
_cell_angle_beta                 82.4760(10)
_cell_angle_gamma                87.5540(10)
_cell_formula_units_Z            2
_cell_length_a                   8.7124(6)
_cell_length_b                   9.0668(6)
_cell_length_c                   11.9860(8)
_cell_measurement_reflns_used    8611
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.36
_cell_volume                     933.26(11)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
Cameron (Watkin <i>et al.</i>, 1996) and
Mercury (Macrae <i>et al.</i>, 2006)
;
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9589
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    20.301
_exptl_absorpt_correction_T_max  0.2360
_exptl_absorpt_correction_T_min  0.1211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Blessing, 1995; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.430
_refine_diff_density_min         -1.808
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         4155
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0212P)^2^+7.9416P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0645
_refine_ls_wR_factor_ref         0.0651
_reflns_number_gt                4099
_reflns_number_total             4155
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg3082.cif
_cod_data_source_block           I
_cod_database_code               2015990
_cod_database_fobs_code          2015990