Unsymmetrically Bridged Methyl Groups as Intermediates in the Transformation of Bridging Methylene to Bridging Acetyl Groups: Ligand Migrations and Migratory Insertions in Mixed Iridium/Ruthenium Complexes
Samant, Rahul G.; Trepanier, Steven J.; Wigginton, James R.; Xu, Li; Bierenstiel, Matthias; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin; Organometallics 28 (2009) 3407–; doi:10.1021/om900127u

data_4069297
_publ_section_title
;
 Unsymmetrically Bridged Methyl Groups as Intermediates in the
 Transformation of Bridging Methylene to Bridging Acetyl Groups: Ligand
 Migrations and Migratory Insertions in Mixed Iridium/Ruthenium Complexes
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              3407
_journal_paper_doi               10.1021/om900127u
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety
'C55 H47 F3 Ir O6 P4 Ru S, C F3 O3 S, 2(C H2 Cl2)'
_chemical_formula_sum            'C58 H51 Cl4 F6 Ir O9 P4 Ru S2'
_chemical_formula_weight         1629.06
_chemical_name_systematic
;

 ?

;
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_cell_angle_beta                 90.00
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_computing_data_collection       'Bruker SMART (Bruker, 1997)'
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_diffrn_ambient_temperature      193(2)
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_diffrn_measured_fraction_theta_max 0.999
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'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         1.45
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0943
_reflns_number_gt                10244
_reflns_number_total             12557
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om900127u_si_002.cif
_cod_data_source_block           11
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        6133.9(9)
_cod_database_code               4069297