One-Dimensionally Extended Paddlewheel Dirhodium Complexes from Metal-Metal Bonds with Diplatinum Complexes
Kazuhiro Uemura; Masahiro Ebihara; Inorganic Chemistry 50 (2011) 7919–7921; doi:10.1021/ic200786k

data_4326035
_publ_section_title
;
 One-Dimensionally Extended Paddlewheel Dirhodium Complexes from
 Metal-Metal Bonds with Diplatinum Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7919
_journal_page_last               7921
_journal_paper_doi               10.1021/ic200786k
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C28 H76 F24 N12 O18 P4 Pt4 Rh2'
_chemical_formula_weight         2435.07
_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                75.827(8)
_cell_angle_beta                 81.424(9)
_cell_angle_gamma                64.918(6)
_cell_formula_units_Z            1
_cell_length_a                   11.536(2)
_cell_length_b                   12.599(2)
_cell_length_c                   13.941(3)
_cell_measurement_reflns_used    4642
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.8607
_cell_measurement_theta_min      1.8225
_cell_volume                     1776.9(6)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        CRYSTALCLEAR
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_sigmaI/netI    0.0902
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14495
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    8.511
_exptl_absorpt_correction_T_max  0.6756
_exptl_absorpt_correction_T_min  0.4832
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQABA
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.275
_exptl_crystal_description       block
_exptl_crystal_F_000             1150
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         6.185
_refine_diff_density_min         -2.225
_refine_diff_density_rms         0.302
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         8029
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0598
_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^)+(0.0526P)^2^+23.3743P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1387
_refine_ls_wR_factor_ref         0.1608
_reflns_number_gt                6118
_reflns_number_total             8029
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200786k_si_003.cif
_cod_data_source_block           2
_cod_original_cell_volume        1777.0(6)
_cod_database_code               4326035