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_4108312
_publ_section_title
;
 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         'C60 H88 B2 Na O7 P2 Re'
_chemical_formula_sum            'C60 H88 B2 Na O7 P2 Re'
_chemical_formula_weight         1214.05
_chemical_name_systematic
;

 ?

;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 100.549(5)
_cell_angle_gamma                113.895(5)
_cell_formula_units_Z            2
_cell_length_a                   11.5493(10)
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_cell_length_c                   22.961(2)
_cell_measurement_reflns_used    9946
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.33
_cell_volume                     2903.4(4)
_computing_cell_refinement       'Bruker SAINT-Plus v7.34A'
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'SIR92 - A. Altomare, et al., J. Appl. Crystallogr. 1993, 26, 343-350.'
_diffrn_ambient_temperature      100(2)
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_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
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_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          0.001
_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         0.1273
_reflns_number_gt                16074
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_cod_data_source_block           ajmm23
_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               4108312