Syntheses and properties of phosphine-substituted ruthenium(ii) polypyridine complexes with nitrogen oxides.
Nakamura, Go; Kondo, Mio; Crisalli, Meredith; Lee, Sze Koon; Shibata, Akane; Ford, Peter C.; Masaoka, Shigeyuki; Dalton transactions (Cambridge, England : 2003) 44 (2015) 17189–17200; doi:10.1039/c5dt02994e

data_7036332
_publ_section_title
;
 Syntheses and properties of phosphine-substituted ruthenium(ii)
 polypyridine complexes with nitrogen oxides.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17189
_journal_page_last               17200
_journal_paper_doi               10.1039/c5dt02994e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C36 H27 N5 O2 P Ru, F6 P, C2 H3 N'
_chemical_formula_sum            'C38 H30 F6 N6 O2 P2 Ru'
_chemical_formula_weight         879.69
_chemical_name_common            trans-NO2
_chemical_name_systematic
;
trans-NO2
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
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_audit_creation_date             2015-08-25T10:38:16-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-08-25 deposited with the CCDC.
2015-08-28 downloaded from the CCDC.
;
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_cell_formula_units_Z            4
_cell_length_a                   12.1909(17)
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_cell_length_c                   25.260(4)
_cell_measurement_reflns_used    120
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.2
_cell_measurement_theta_min      23.6
_cell_volume                     3613.5(9)
_computing_data_collection       'APEX2 v2014.11'
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_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'bruker Kappa Apex II CCD'
_diffrn_measurement_method       \w
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            19588
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
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_diffrn_reflns_theta_max         26.729
_diffrn_reflns_theta_min         2.408
_exptl_absorpt_coefficient_mu    0.599
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_exptl_absorpt_correction_T_min  0.6527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
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_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0891P)^2^+19.8725P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1678
_reflns_number_gt                6144
_reflns_number_total             7665
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02994e2.cif
_cod_data_source_block           trans-NO2
_cod_depositor_comments
'Adding full bibliography for 7036332--7036334.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7036332