1,3-Bis(thiophosphinoyl)indene: A Unique and Versatile Scaffold for Original Polymetallic Complexes
Noel Nebra; Nathalie Saffon; Laurent Maron; Blanca Martin-Vaca; Didier Bourissou; Inorganic Chemistry 50 (2011) 6378–6383; doi:10.1021/ic200842z

data_4325565
_publ_section_title
;
 1,3-Bis(thiophosphinoyl)indene: A Unique and Versatile Scaffold for
 Original Polymetallic Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6378
_journal_page_last               6383
_journal_paper_doi               10.1021/ic200842z
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C72 H60 Cl14 P4 Pd3 S4'
_chemical_formula_weight         1992.82
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 129.45(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.423(7)
_cell_length_b                   14.298(3)
_cell_length_c                   22.074(4)
_cell_measurement_reflns_used    732
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      19.09
_cell_measurement_theta_min      2.29
_cell_volume                     8389(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      233(2)
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.1741
_diffrn_reflns_av_sigmaI/netI    0.3984
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -30
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11066
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         5.19
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       plate
_exptl_crystal_F_000             3968
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.928
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6551
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_refine_ls_restrained_S_all      0.813
_refine_ls_R_factor_all          0.2415
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0387P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1733
_reflns_number_gt                2063
_reflns_number_total             6551
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200842z_si_002_3.cif
_cod_data_source_block           4
_cod_original_cell_volume        8389(3)
_cod_database_code               4325565