Catalytic Activity and Fluxional Behavior of Complexes Based on RuHCl(CO)(PPh3)3and Xantphos-Type Ligands
Pingen, Dennis; Lebl, Tomas; Lutz, Martin; Nichol, Gary S.; Kamer, Paul C. J.; Vogt, Dieter; Organometallics 33 (2014) 2798–; doi:10.1021/om5003182

data_4083422
_publ_section_title
;
 Catalytic Activity and Fluxional Behavior of Complexes Based on
 RuHCl(CO)(PPh3)3and Xantphos-Type Ligands
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2798
_journal_paper_doi               10.1021/om5003182
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C56 H47 Cl2 O P3 Ru Si'
_chemical_formula_sum            'C56 H47 Cl2 O P3 Ru Si'
_chemical_formula_weight         1028.90
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_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'
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'SHELXTL (Sheldrick, 2008) and local programs'
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_diffrn_measurement_device_type  'Agilent Technologies SuperNova'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1499
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_max       22
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_diffrn_reflns_number            68567
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.239
_diffrn_reflns_theta_min         3.014
_exptl_absorpt_coefficient_mu    5.356
_exptl_absorpt_correction_T_max  0.803
_exptl_absorpt_correction_T_min  0.754
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Numerical absorption correction based on gaussian integration over
   a multifaceted crystal model
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_description       block
_exptl_crystal_F_000             2112
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_exptl_crystal_size_mid          0.056
_exptl_crystal_size_min          0.053
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8484
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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^)+(0.0505P)^2^+2.5973P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1225
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                6337
_reflns_number_total             8484
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5003182_si_001.cif
_cod_data_source_block           sixantphos
_cod_depositor_comments
'Adding full bibliography for 4083421--4083422.cif.'
_cod_database_code               4083422
_shelx_estimated_absorpt_t_min   0.686
_shelx_estimated_absorpt_t_max   0.764
_shelxl_version_number           2013-4
_shelx_res_checksum              54481
_shelx_hkl_checksum              69080