Synthesis, Crystal Structure, and Characterization of a Heterometallic One-Dimensional Complex with Metal-Metal Bonds
Kazuhiro Uemura; Kôichi Fukui; Kana Yamasaki; Kazuko Matsumoto; Masahiro Ebihara; Inorganic Chemistry 49 (2010) 7323–7330; doi:10.1021/ic1004775

data_4316228
_publ_section_title
;
 Synthesis, Crystal Structure, and Characterization of a Heterometallic
 One-Dimensional Complex with Metal-Metal Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7323
_journal_page_last               7330
_journal_paper_doi               10.1021/ic1004775
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C28 H80 Cl17 F12 N20 O10 P2 Pt6 Rh2'
_chemical_formula_weight         3126.07
_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                74.622(9)
_cell_angle_beta                 79.551(9)
_cell_angle_gamma                79.929(9)
_cell_formula_units_Z            2
_cell_length_a                   13.455(6)
_cell_length_b                   17.782(8)
_cell_length_c                   21.349(10)
_cell_measurement_reflns_used    962
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.4715
_cell_measurement_theta_min      2.8225
_cell_volume                     4800(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      120(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.923
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w 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  0.0757
_diffrn_reflns_av_sigmaI/netI    0.1770
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            29690
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  798
_diffrn_standards_number         231
_exptl_absorpt_coefficient_mu    9.618
_exptl_absorpt_correction_T_max  0.4464
_exptl_absorpt_correction_T_min  0.0983
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2906
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         7.870
_refine_diff_density_min         -5.738
_refine_diff_density_rms         0.767
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     718
_refine_ls_number_reflns         20556
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1856
_refine_ls_R_factor_gt           0.1145
_refine_ls_shift/su_max          3.476
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2938
_refine_ls_wR_factor_ref         0.3506
_reflns_number_gt                11316
_reflns_number_total             20556
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1004775_si_002.cif
_cod_data_source_block           k050530
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316228