Further studies on the photoreactivities of ruthenium‒nitrosyl complexes with terpyridyl ligands
Sasaki, Isabelle; Amabilino, Silvia; Mallet-Ladeira, Sonia; Tassé, Marine; Sournia-Saquet, Alix; Lacroix, Pascal G.; Malfant, Isabelle; New Journal of Chemistry 43 (2019) 11241–; doi:10.1039/C9NJ02398D

data_7058520
_publ_section_title
;
 Further studies on the photoreactivities of ruthenium--nitrosyl complexes
 with terpyridyl ligands
;
_journal_issue                   28
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11241
_journal_paper_doi               10.1039/C9NJ02398D
_journal_volume                  43
_journal_year                    2019
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C25 H23 Cl2 N6 O3 Ru, F6 P'
_chemical_formula_sum            'C25 H23 Cl2 F6 N6 O3 P Ru'
_chemical_formula_weight         772.43
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2019-04-23 deposited with the CCDC.    2019-06-21 downloaded from the CCDC.
;
_cell_angle_alpha                97.082(12)
_cell_angle_beta                 100.947(13)
_cell_angle_gamma                116.663(13)
_cell_formula_units_Z            2
_cell_length_a                   11.546(4)
_cell_length_b                   12.407(4)
_cell_length_c                   13.352(4)
_cell_measurement_reflns_used    9218
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.32
_cell_measurement_theta_min      2.17
_cell_volume                     1630.1(10)
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            77258
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.506
_diffrn_reflns_theta_min         1.599
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.765
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.7040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.141
_refine_diff_density_min         -1.402
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         10868
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.042
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+2.9822P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1187
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0
_reflns_number_gt                9206
_reflns_number_total             10868
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj02398d2.cif
_cod_data_source_block           IS200317
_cod_depositor_comments
'Adding full bibliography for 7058517--7058520.cif.'
_cod_database_code               7058520
_shelx_res_checksum              24794
_shelx_fab_checksum              30867