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_4322582
_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            'C19 H23 Au3 N6 O2 S3'
_chemical_formula_weight         1054.51
_chemical_name_systematic
; 
 ? 
;
_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                 107.925(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.860(2)
_cell_length_b                   18.345(2)
_cell_length_c                   13.176(2)
_cell_measurement_temperature    295(2)
_cell_volume                     2727.6(7)
_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      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.1210
_diffrn_reflns_av_sigmaI/netI    0.1240
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10707
_diffrn_reflns_theta_full        21.51
_diffrn_reflns_theta_max         21.51
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    16.354
_exptl_absorpt_correction_T_max  0.7685
_exptl_absorpt_correction_T_min  0.5200
_exptl_absorpt_correction_type   Scalepack
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.896
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3125
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.239
_refine_ls_shift/su_mean         0.028
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0143P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0921
_reflns_number_gt                1876
_reflns_number_total             3125
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic991085b_1.cif
_cod_data_source_block           99142
_cod_original_cell_volume        2727.5(7)
_cod_database_code               4322582