Gold Complexes of Trithiocyanuric Acid: A Two-Dimensional Polymer Assembled through Gold(I)...Gold(I) Interactions
William J. Hunks; Michael C. Jennings; Richard J. Puddephatt; Inorganic Chemistry 38 (1999) 5930–5931; doi:10.1021/ic991085b

data_4322583
_publ_section_title
;
 Gold Complexes of Trithiocyanuric Acid: A Two-Dimensional Polymer
 Assembled through Gold(I)...Gold(I) Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5930
_journal_page_last               5931
_journal_paper_doi               10.1021/ic991085b
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C65 H65 Au3 N3 O2 P3 S3'
_chemical_formula_weight         1700.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   29.2589(15)
_cell_length_b                   29.2589(15)
_cell_length_c                   14.2131(9)
_cell_measurement_temperature    292(2)
_cell_volume                     10537.4(10)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.642
_diffrn_measured_fraction_theta_max 0.642
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phi/omega 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  0.0800
_diffrn_reflns_av_sigmaI/netI    0.1635
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18326
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    6.448
_exptl_absorpt_correction_T_max  0.6868
_exptl_absorpt_correction_T_min  0.3587
_exptl_absorpt_correction_type   Scalepack
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4932
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.957
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         13256
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.2088
_refine_ls_R_factor_gt           0.0887
_refine_ls_shift/su_max          3.247
_refine_ls_shift/su_mean         0.101
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0586P)^2^+66.5906P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1584
_refine_ls_wR_factor_ref         0.2013
_reflns_number_gt                5908
_reflns_number_total             13256
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991085b_2.cif
_cod_data_source_block           99046
_cod_database_code               4322583