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_4116970
_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            'C69 H54 Cl2 Cr2 N4 O4 P4'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Fri Nov 29 09:54:20 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 104.12(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4.00
_cell_length_a                   18.645(5)
_cell_length_b                   17.896(3)
_cell_length_c                   19.338(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    23.0
_cell_volume                     6258(2)
_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      23.0
_diffrn_measurement_device       AFC5R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.02200
_diffrn_orient_matrix_UB_12      -0.01278
_diffrn_orient_matrix_UB_13      -0.04077
_diffrn_orient_matrix_UB_21      -0.00755
_diffrn_orient_matrix_UB_22      0.05269
_diffrn_orient_matrix_UB_23      -0.01748
_diffrn_orient_matrix_UB_31      0.05017
_diffrn_orient_matrix_UB_32      0.01350
_diffrn_orient_matrix_UB_33      0.02960
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  13.60
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -4
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_diffrn_standards_decay_%        -8.68
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.5875
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.920
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_description       prism
_exptl_crystal_F_000             2680.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         -0.51580
_refine_diff_density_min         0.46910
_refine_ls_extinction_coef       0.17901
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
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_refine_ls_matrix_type           diagonal
_refine_ls_number_parameters     836
_refine_ls_number_reflns         2264
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0720
_refine_ls_shift/esd_max         1.0660
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0690
_cod_data_source_file            ja964052t_2.cif
_cod_data_source_block           JA964052T-325
_cod_original_cell_volume        6257(2)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        'C69 H54 N4 O4 P4 Cr2 Cl2'
_cod_database_code               4116970