Reductive Coupling of Carbon Monoxide in a Rhenium Carbonyl Complex with Pendant Lewis Acids
Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw; Journal of the American Chemical Society 130 (2008) 11874–11875; doi:10.1021/ja805108z

data_4108313
_publ_section_title
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 Reductive Coupling of Carbon Monoxide in a Rhenium Carbonyl Complex with
 Pendant Lewis Acids
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11874
_journal_page_last               11875
_journal_paper_doi               10.1021/ja805108z
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C96 H114 B4 O8 P4 Re2, 2(C H2 Cl2)'
_chemical_formula_sum            'C98 H118 B4 Cl4 O8 P4 Re2'
_chemical_formula_weight         2105.24
_chemical_name_systematic
;

 ?

;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 74.156(3)
_cell_angle_gamma                80.300(3)
_cell_formula_units_Z            1
_cell_length_a                   11.2518(5)
_cell_length_b                   13.3609(6)
_cell_length_c                   16.3588(7)
_cell_measurement_reflns_used    9845
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.83
_cell_volume                     2331.60(18)
_computing_cell_refinement       'Bruker SAINT-Plus v7.34A'
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_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker KAPPA APEX II'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            211343
_diffrn_reflns_theta_full        54.57
_diffrn_reflns_theta_max         54.57
_diffrn_reflns_theta_min         1.91
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_exptl_absorpt_correction_T_max  0.6925
_exptl_absorpt_correction_T_min  0.6012
_exptl_absorpt_correction_type   none
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_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/s^2^(Fo^2^)
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0681
_reflns_number_gt                43261
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_cod_data_source_block           ajmm24
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

'_atom_sites_solution_secondary' value 'Difference Fourier map' was
changed to 'difmap'.

'_atom_sites_solution_hydrogens' value 'Geometric positions' was
changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               4108313