Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation
Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.; Organometallics 33 (2014) 7279–; doi:10.1021/om5010572

data_4084872
_publ_section_title
;
 Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and
 Related Ru(II) Complexes Used in Catalysis: A Reinvestigation
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              7279
_journal_paper_doi               10.1021/om5010572
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C92 H83 O0.5 P5 Ru2'
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;
 ?
;
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_computing_structure_solution    Sir2011
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
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_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
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_diffrn_reflns_limit_l_max       27
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_diffrn_reflns_theta_max         26.444
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_diffrn_source                   'Microfocus source E025 IuS'
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_diffrn_source_type              'Bruker APEX DUO'
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 TWINABS Version 2008/0 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            red
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_refine_diff_density_max         1.632
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1000P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2377
_refine_ls_wR_factor_ref         0.2636
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10760
_reflns_number_total             15893
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5010572_si_001.cif
_cod_data_source_block           mo_HRS557b_25
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4084867--4084875.cif.
;
_cod_original_cell_volume        14837(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C92 H83 O0.50 P5 Ru2'
_cod_database_code               4084872
_shelx_estimated_absorpt_t_min   0.946
_shelx_estimated_absorpt_t_max   0.989
_shelxl_version_number           2012-9
_shelx_res_checksum              1611
_shelx_hkl_checksum              67536