Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various Triarylphosphines and Their Use for Arylation of Sterically Congested Aromatic C‒H Bonds
Ogiwara, Yohei; Miyake, Masashi; Kochi, Takuya; Kakiuchi, Fumitoshi; Organometallics 36 (2017) 159–; doi:10.1021/acs.organomet.6b00540

data_4086881
_publ_section_title
;
 Syntheses of RuHCl(CO)(PAr3)3 and RuH2(CO)(PAr3)3 Containing Various
 Triarylphosphines and Their Use for Arylation of Sterically Congested
 Aromatic C--H Bonds
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              159
_journal_paper_doi               10.1021/acs.organomet.6b00540
_journal_volume                  36
_journal_year                    2017
_chemical_formula_sum            'C55 H38 F9 O P3 Ru'
_chemical_formula_weight         1079.83
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
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'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
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_diffrn_ambient_temperature      103(2)
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_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_unetI/netI     0.1241
_diffrn_reflns_Laue_measured_fraction_full 0.969
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_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_point_group_measured_fraction_full 0.969
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         3.072
_exptl_absorpt_coefficient_mu    0.528
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan
;
_exptl_crystal_colour            colorless
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_refine_ls_R_factor_gt           0.0604
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0467P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                5090
_reflns_number_total             8011
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om6b00540_si_002.cif
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_cod_depositor_comments
'Adding full bibliography for 4086879--4086881.cif.'
_cod_original_cell_volume        4561.0(7)
_cod_database_code               4086881
_shelx_estimated_absorpt_t_min   0.858
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_shelx_res_checksum              19532
_shelx_hkl_checksum              97923