Ruthenium-mediated reduction of oximes to imines. Synthesis, characterization and redox properties of imine complexes of ruthenium
Das, Anjan Kumar; Peng, Shie-Ming; Bhattacharya, Samaresh; Journal of the Chemical Society, Dalton Transactions  (2000) 181–; doi:10.1039/a907021d

data_7008924
_publ_section_title
;
 Ruthenium-mediated reduction of oximes to imines. Synthesis,
 characterization and redox properties of imine complexes of ruthenium
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              181
_journal_paper_doi               10.1039/a907021d
_journal_year                    2000
_chemical_formula_moiety         'C44 H38 N O P2 Cl2 Ru '
_chemical_formula_sum            'C44 H38 Cl2 N O P2 Ru'
_chemical_formula_weight         830.70
_chemical_name_systematic        ?
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 97.23(3)
_cell_angle_gamma                90.0
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_cell_length_b                   23.981(3)
_cell_length_c                   17.290(5)
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_cell_measurement_temperature    295
_cell_measurement_theta_max      16.85
_cell_measurement_theta_min      11.90
_cell_volume                     3895.8(18)
_computing_cell_refinement       'NONIUS CAD4'
_computing_data_collection       'NONIUS CAD4'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    'NRCVAX ORTEP'
_computing_publication_material  'NRCVAX TABLES'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
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_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_min         0.00
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_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.65
_exptl_absorpt_correction_T_max  0.8423
_exptl_absorpt_correction_T_min  0.8159
_exptl_absorpt_correction_type   empirical
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_exptl_crystal_F_000             1696.54
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_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.32
_refine_ls_extinction_coef       3135(91)
_refine_ls_extinction_method     Larson
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_refine_ls_R_factor_obs          0.026
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0000F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.028
_refine_ls_wR_factor_obs         0.028
_reflns_number_observed          5845
_reflns_number_total             6840
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_cod_data_source_block           9/07021D
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0000F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0000F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3895.8(17)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C44 H38 N O P2 Cl2 Ru '
_cod_database_code               7008924