Metallocenoids of platinum: Syntheses and structures of triangular triplatinum sandwich complexes of cycloheptatrienyl
Murahashi, Tetsuro; Usui, Kentaro; Inoue, Ryou; Ogoshi, Sensuke; Kurosawa, Hideo; Chemical Science 2 (2011) 117–; doi:10.1039/c0sc00269k

data_1515692
_publ_section_title
;
 Metallocenoids of platinum: Syntheses and structures of triangular
 triplatinum sandwich complexes of cycloheptatrienyl
;
_journal_issue                   1
_journal_name_full               'Chemical Science'
_journal_page_first              117
_journal_paper_doi               10.1039/c0sc00269k
_journal_volume                  2
_journal_year                    2011
_chemical_formula_sum            'C56 H39 B F24 Pt3'
_chemical_formula_weight         1763.97
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Thu Nov 26 02:04:13 2009'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 103.809(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4558(4)
_cell_length_b                   19.1713(7)
_cell_length_c                   25.517(1)
_cell_measurement_reflns_used    28245
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5442.1(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9972
_diffrn_measured_fraction_theta_max 0.9972
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.070
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            53410
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    7.783
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            reddish
_exptl_crystal_density_diffrn    2.153
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.45
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     757
_refine_ls_number_reflns         5862
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          3.1149
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0563
_reflns_number_gt                5862
_reflns_number_total             12424
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0sc00269k.txt
_cod_data_source_block           usui8
_cod_original_cell_volume        5442.2(3)
_cod_original_formula_sum        'C56 H39 B F24 Pt3 '
_cod_database_code               1515692