Visible-light NO photolysis of ruthenium nitrosyl complexes with N<sub>2</sub>O<sub>2</sub> ligands bearing π-extended rings and their photorelease dynamics.
Kim, Minyoung; Park, Seongchul; Song, Dayoon; Moon, Dohyun; You, Youngmin; Lim, Manho; Lee, Hong-In; Dalton transactions (Cambridge, England : 2003) 51 (2022) 11404–11415; doi:10.1039/d2dt01019d

data_7710880
_publ_section_title
;
 Visible-light NO photolysis of ruthenium nitrosyl complexes with
 N<sub>2</sub>O<sub>2</sub> ligands bearing \p-extended rings and their
 photorelease dynamics.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11404
_journal_page_last               11415
_journal_paper_doi               10.1039/d2dt01019d
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C28 H18 Cl N3 O3 Ru, C2 H3 N'
_chemical_formula_sum            'C30 H21 Cl N4 O3 Ru'
_chemical_formula_weight         622.03
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2022-06-03 deposited with the CCDC.	2022-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                94.94(3)
_cell_angle_beta                 113.97(3)
_cell_angle_gamma                98.24(3)
_cell_formula_units_Z            2
_cell_length_a                   10.532(2)
_cell_length_b                   11.190(2)
_cell_length_c                   12.057(2)
_cell_measurement_reflns_used    24109
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      33.548
_cell_measurement_theta_min      0.361
_cell_volume                     1268.5(5)
_computing_cell_refinement       '<i>HKL3000sm</i>(Otwinowski & Minor, 1997)'
_computing_data_collection
'<i>PAL BL2D-SMDC Program</i>(Shin et.al, 2016)'
_computing_data_reduction        '<i>HKL3000sm</i>(Otwinowski & Minor, 1997)'
_computing_molecular_graphics    '<i>DIAMOND 4</i>(Putx&Brandenburg, 2014)'
_computing_publication_material  '<i>publCIF</i>(Westrip, 2010)'
_computing_structure_refinement  '<i>SHELXL-2019/2</i>(Sheldrick, 2018)'
_computing_structure_solution    '<i>SHELXT-2018</i>(Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.630
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_Laue_measured_fraction_full 0.924
_diffrn_reflns_Laue_measured_fraction_max 0.910
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11849
_diffrn_reflns_point_group_measured_fraction_full 0.924
_diffrn_reflns_point_group_measured_fraction_max 0.910
_diffrn_reflns_theta_full        22.210
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_min         1.651
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.548
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'<i>HKL3000sm Scalepack</i>(Otwinowski et.al,2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_description       cubic
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         3.202
_refine_diff_density_min         -1.917
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         6856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0523P)^2^+3.7806P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1268
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6185
_reflns_number_total             6856
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt01019d2.cif
_cod_data_source_block           Ru_ONnaphophenCl_a
_cod_database_code               7710880
_shelx_shelxl_version_number     2019/2
_shelx_estimated_absorpt_t_min   0.922
_shelx_estimated_absorpt_t_max   0.942
_shelx_res_checksum              80959
_shelx_hkl_checksum              28834