Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)
Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman; Journal of the American Chemical Society 126 (2004) 14804–14815; doi:10.1021/ja0468877

data_4113168
_publ_section_title
;
 Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene
 Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14804
_journal_page_last               14815
_journal_paper_doi               10.1021/ja0468877
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C18 H39 P2 Re'
_chemical_formula_weight         503.66
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             'Tue May 25 14:08:18 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
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_cell_length_b                   14.6308(3)
_cell_length_c                   32.8142(3)
_cell_measurement_reflns_used    7027
_cell_measurement_temperature    163.2
_cell_measurement_theta_max      23.0
_cell_measurement_theta_min      2.5
_cell_volume                     8363.2(3)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_measured_fraction_theta_full 0.5898
_diffrn_measured_fraction_theta_max 0.5898
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_max       39
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_diffrn_reflns_theta_full        30.69
_diffrn_reflns_theta_max         30.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_correction_T_max  0.461
_exptl_absorpt_correction_T_min  0.244
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_description       blade
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_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.80
_refine_diff_density_min         -1.41
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
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_cod_data_source_block           jrk1973
_cod_original_cell_volume        8363.2(4)
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        'C18 H39 P2 Re '
_cod_database_code               4113168