Oxidative addition of iodine, iodomethane and iodobenzene to the rhodium phosphino enolate complex[Rh{Ph2PCHC(O)Ph}(CO)(PPh3)] and carbon monoxide insertion into the resulting Rh‒carbon bond of [Rh{Ph2PCHC(O)Ph}Me(I)(CO)(PPh3)]
Pierre Braunstein; Yves Chauvin; Jean Fischer; Hélène Olivier; Carsten Strohmann; Dawn V. Toronto; New J. Chem. 24 (2000) 437–445; doi:10.1039/b000961j

data_7051276
_publ_section_title
;
 Oxidative addition of iodine, iodomethane and iodobenzene to the
 rhodium phosphino enolate complex[Rh{Ph2PCHC(O)Ph}(CO)(PPh3)] and
 carbon monoxide insertion into the resulting Rh--carbon bond of
 [Rh{Ph2PCHC(O)Ph}Me(I)(CO)(PPh3)]
;
_journal_issue                   6
_journal_name_full               'New J. Chem.'
_journal_page_first              437
_journal_page_last               445
_journal_paper_doi               10.1039/b000961j
_journal_volume                  24
_journal_year                    2000
_chemical_formula_moiety         'C40 H34 I O2 P2 Rh'
_chemical_formula_sum            'C40 H34 I O2 P2 Rh'
_chemical_formula_weight         838.47
_chemical_name_systematic        ' ?'
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_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_beta                 92.25(2)
_cell_angle_gamma                90
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_cell_length_c                   12.213(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    294
_cell_measurement_theta_max      19.5
_cell_measurement_theta_min      18.0
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_computing_cell_refinement       CAD4_(Enraf-Nonius,_1994)
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_computing_data_reduction        process_OpenMoleN_(_1997)
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_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
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_diffrn_measurement_method       \q/2\q
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_exptl_crystal_colour            yellow
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_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/(\s^2^(Fo^2^) + 0.0064 Fo^4^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.149
_refine_ls_wR_factor_ref         0.055
_reflns_number_gt                4991
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_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            b000961j.txt
_cod_data_source_block           st732
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/(\s^2^(Fo^2^) + 0.0064
Fo^4^)' was changed to 'calc'. New tag '_refine_ls_weighting_details'
was created. The value of the new tag was set to 'w =
4Fo^2^/(\s^2^(Fo^2^) + 0.0064 Fo^4^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        3549(2)
_cod_database_code               7051276