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_7710878
_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         'C30 H21 Cl N3 O2 Ru'
_chemical_formula_sum            'C30 H21 Cl N3 O2 Ru'
_chemical_formula_weight         592.02
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2021-09-03 deposited with the CCDC.	2022-06-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.409(4)
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_cell_length_c                   7.3530(15)
_cell_measurement_reflns_used    69148
_cell_measurement_temperature    102(2)
_cell_measurement_theta_max      33.75
_cell_measurement_theta_min      0.40
_cell_volume                     5085.2(18)
_computing_cell_refinement       HKL3000
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_computing_data_reduction        HKL3000
_computing_molecular_graphics    ORTEP
_computing_publication_material  WINGX
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_computing_structure_solution    'SHELX-2013/1 (sheldrick, 2013)'
_diffrn_ambient_temperature      102(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.700
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0204
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       23
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_diffrn_reflns_limit_k_max       40
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_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            30793
_diffrn_reflns_point_group_measured_fraction_full 0.974
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_diffrn_reflns_theta_min         2.085
_diffrn_source                   'PLSII 2D bending magnet'
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_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.97
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000 Scalepack'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_description       needle
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.550
_refine_diff_density_min         -1.222
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5090
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0362
_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^)+(0.0566P)^2^+7.8292P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1093
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4479
_reflns_number_total             5090
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt01019d2.cif
_cod_data_source_block           shelx
_cod_database_code               7710878
_shelx_estimated_absorpt_t_min   0.965
_shelx_estimated_absorpt_t_max   0.986
_shelxl_version_number           2014/6
_shelx_res_checksum              34816
_shelx_hkl_checksum              48690