Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities
Richard D. Adams; Qiang Zhang; Xinzheng Yang; Journal of the American Chemical Society 133 (2011) 15950–15953; doi:10.1021/ja207840w

data_4106949
_publ_section_title
;
 Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties
 and Reactivities
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15950
_journal_page_last               15953
_journal_paper_doi               10.1021/ja207840w
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C41 H22 Au Ir O20 P Ru5'
_chemical_formula_weight         1760.07
_chemical_name_systematic
; 
 ? 
;
_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                68.360(4)
_cell_angle_beta                 88.205(4)
_cell_angle_gamma                80.330(4)
_cell_formula_units_Z            2
_cell_length_a                   10.624(2)
_cell_length_b                   13.983(3)
_cell_length_c                   17.735(4)
_cell_measurement_reflns_used    4929
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.27
_cell_volume                     2412.8(9)
_computing_cell_refinement       'SAINT+  V6.45 (Bruker, 2003)'
_computing_data_collection       'SMART V5.632 (Bruker, 2005)'
_computing_data_reduction        'SAINT+  V6.45'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0692
_diffrn_reflns_av_sigmaI/netI    0.1189
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23124
_diffrn_reflns_theta_full        24.40
_diffrn_reflns_theta_max         24.40
_diffrn_reflns_theta_min         1.24
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    7.406
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    2.423
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1638
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.376
_refine_diff_density_min         -2.414
_refine_diff_density_rms         0.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         7831
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1130
_refine_ls_R_factor_gt           0.0736
_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^)+(0.0619P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1689
_refine_ls_wR_factor_ref         0.1813
_reflns_number_gt                4662
_reflns_number_total             7831
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja207840w_si_001_2.cif
_cod_data_source_block           6
_cod_database_code               4106949