Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite ligands: synthesis, structure and application in catalytic cross dehydrogenative coupling reactions of silanes and alcohols.
González-Fernández, Rebeca; Crochet, Pascale; Cadierno, Victorio; Dalton transactions (Cambridge, England : 2003) 49 (2020) 210–222; doi:10.1039/c9dt04421c

data_7702933
_publ_section_title
;
 Half-sandwich ruthenium(ii) complexes with tethered arene-phosphinite
 ligands: synthesis, structure and application in catalytic cross
 dehydrogenative coupling reactions of silanes and alcohols.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              210
_journal_page_last               222
_journal_paper_doi               10.1039/c9dt04421c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C25 H39 O1 Cl2 P1 Ru'
_chemical_formula_sum            'C25 H39 Cl2 O P Ru'
_chemical_formula_weight         558.50
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2019-10-10 deposited with the CCDC.	2019-12-02 downloaded from the CCDC.
;
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_cell_length_b                   15.1236(2)
_cell_length_c                   18.3093(2)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      3.7980
_cell_volume                     2563.95(5)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.2640
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14073
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
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_diffrn_reflns_theta_max         69.591
_diffrn_reflns_theta_min         3.809
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.557
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.11
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_refine_diff_density_max         0.287
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     278
_refine_ls_number_reflns         4781
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0216
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0267P)^2^+0.0925P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0528
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4330
_reflns_number_total             4781
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04421c2.cif
_cod_data_source_block           6c
_cod_depositor_comments
'Adding full bibliography for 7702933--7702936.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7702933
_shelxl_version_number           2014-3
_shelx_res_checksum              20367