Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence
Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao; Organometallics 25 (2006) 5216–; doi:10.1021/om0607595

data_4074560
_publ_section_title
;
 Carbon&#x2212;Carbon Bond Formation on a
 Bis(oxazolinyl)phenyl&#x2212;Rhodium Complex in a Reduction and Oxidative
 Addition Sequence
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5216
_journal_paper_doi               10.1021/om0607595
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C27 H41 Cl N3 O2 Rh'
_chemical_formula_weight         577.99
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
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_cell_length_c                   21.7303(19)
_cell_measurement_reflns_used    4809
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_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -28
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_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         2.51
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_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.670842
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1208
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0476P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1080
_reflns_number_gt                5486
_reflns_number_total             6615
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0607595si20060822_050434.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               4074560