Self-Assembly of Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes in Solid State, Mesophase, and Solution
Tina H. T. Hsu; Jaishri J. Naidu; Bi-Jiuan Yang; Meng-Ying Jang; Ivan J. B. Lin; Inorganic Chemistry 51 (2012) 98–108; doi:10.1021/ic2011343

data_4327729
_publ_section_title
;
 Self-Assembly of Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes
 in Solid State, Mesophase, and Solution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              98
_journal_page_last               108
_journal_paper_doi               10.1021/ic2011343
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C30 H54 Ag F6 N6 O2 P'
_chemical_formula_weight         783.63
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 101.9780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   49.906(2)
_cell_length_b                   9.3466(4)
_cell_length_c                   16.6736(8)
_cell_measurement_temperature    293(2)
_cell_volume                     7608.1(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16790
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         0.83
_exptl_absorpt_coefficient_mu    0.635
_exptl_absorpt_correction_T_max  0.7274
_exptl_absorpt_correction_T_min  0.4779
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.345
_exptl_crystal_size_min          0.157
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.126
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    cont
_refine_ls_matrix_type           full
_refine_ls_number_parameters     834
_refine_ls_number_reflns         10111
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0770P)^2^+18.7023P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1414
_reflns_number_gt                7254
_reflns_number_total             10111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2011343_si_002.cif
_cod_data_source_block           1
_cod_database_code               4327729