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_4106948
_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            'C65 H36 Ir N O23 P2 Ru6'
_chemical_formula_weight         2059.51
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 77.0430(10)
_cell_angle_gamma                85.4740(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1110(3)
_cell_length_b                   17.9859(6)
_cell_length_c                   21.6380(7)
_cell_measurement_reflns_used    6648
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.91
_cell_measurement_theta_min      2.24
_cell_volume                     3516.6(2)
_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      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0429
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.05
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    3.259
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_description       Block
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.20
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_refine_diff_density_max         1.635
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         12409
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0691P)^2^+0.9570P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1501
_reflns_number_gt                8027
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja207840w_si_001_1.cif
_cod_data_source_block           5
_cod_original_cell_volume        3516.61(19)
_cod_database_code               4106948