Diruthenium(ii)-NNN pincer complex catalysts for transfer hydrogenation of ketones.
Chai, Huining; Wang, Qingfu; Liu, Tingting; Yu, Zhengkun; Dalton transactions (Cambridge, England : 2003) 45 (2016) 17843–17849; doi:10.1039/c6dt03620a

data_7040848
_publ_section_title
;
 Diruthenium(ii)-NNN pincer complex catalysts for transfer hydrogenation
 of ketones.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17843
_journal_page_last               17849
_journal_paper_doi               10.1039/c6dt03620a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C115 H104 N10 O2 P4 Ru2'
_chemical_formula_weight         1984.10
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-05-10 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.286(6)
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_cell_angle_gamma                97.737(6)
_cell_formula_units_Z            2
_cell_length_a                   12.052(3)
_cell_length_b                   20.350(6)
_cell_length_c                   20.965(6)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      56.984
_cell_measurement_theta_min      4.421
_cell_volume                     5077(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0675
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
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_diffrn_reflns_theta_max         26.000
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_exptl_absorpt_coefficient_mu    0.416
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_description       prismatic
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_exptl_crystal_size_max          0.187
_exptl_crystal_size_mid          0.101
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.945
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_refine_ls_number_restraints     2
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+1.5722P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1427
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15524
_reflns_number_total             19805
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03620a2.cif
_cod_data_source_block           cd214117
_cod_depositor_comments
'Adding full bibliography for 7040848--7040849.cif.'
_cod_database_code               7040848
_shelxl_version_number           2013-4
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