Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2
Kazushi Mashima; Mitsuhiro Tanaka; Kazuhide Tani; Akira Nakamura; Sadamu Takeda; Wasuke Mori; Kizashi Yamaguchi; Journal of the American Chemical Society 119 (1997) 4307–4308; doi:10.1021/ja964052t

data_4116969
_publ_section_title
;
 Elongation of the Quadruple CrII-CrII Bond Induced by Two PtMe2 Moieties
 in the Linearly Aligned Tetrametal System, PtMe2...Cr-Cr...PtMe2
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4307
_journal_page_last               4308
_journal_paper_doi               10.1021/ja964052t
_journal_volume                  119
_journal_year                    1997
_chemical_formula_sum            'C64 H64 Cr2 N4 O4 P4 Pt2'
_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             'Fri Nov 29 09:53:33 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 99.74(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   15.58(1)
_cell_length_b                   17.534(4)
_cell_length_c                   28.455(7)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    20.0
_cell_volume                     7661(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      20.0
_diffrn_measurement_device       unknown
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      -0.00550
_diffrn_orient_matrix_UB_12      -0.00285
_diffrn_orient_matrix_UB_13      0.03447
_diffrn_orient_matrix_UB_21      0.06479
_diffrn_orient_matrix_UB_22      -0.00317
_diffrn_orient_matrix_UB_23      0.00886
_diffrn_orient_matrix_UB_31      0.00333
_diffrn_orient_matrix_UB_32      0.05687
_diffrn_orient_matrix_UB_33      0.00222
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18842
_diffrn_reflns_theta_max         27.5047
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.0246
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_description       prism
_exptl_crystal_F_000             3088.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         -7.23770
_refine_diff_density_min         6.63920
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.750
_refine_ls_matrix_type           diagonal
_refine_ls_number_parameters     805
_refine_ls_number_reflns         8097
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0640
_refine_ls_shift/esd_max         17.1830
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0640
_cod_data_source_file            ja964052t_1.cif
_cod_data_source_block           Cr2Pt2Me4(pyphos)4
_cod_original_cell_volume        7663(4)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C64 H64 N4 O4 P4 Cr2 Pt2'
_cod_database_code               4116969