Light-activated generation of nitric oxide (NO) and sulfite anion radicals (SO<sub>3</sub>˙<sup>-</sup>) from a ruthenium(ii) nitrosylsulphito complex.
Roveda, Jr, Antonio C; Santos, Willy G.; Souza, Maykon L.; Adelson, Charles N.; Gonçalves, Felipe S; Castellano, Eduardo E.; Garino, Claudio; Franco, Douglas W.; Cardoso, Daniel R.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 10812–10823; doi:10.1039/c9dt01432b

data_7700344
_publ_section_title
;
 Light-activated generation of nitric oxide (NO) and sulfite anion
 radicals (SO<sub>3</sub>&#x02D9;<sup>-</sup>) from a ruthenium(ii)
 nitrosylsulphito complex.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10812
_journal_page_last               10823
_journal_paper_doi               10.1039/c9dt01432b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C6 H18 N7 O2 Ru,3(B F4)'
_chemical_formula_sum            'C6 H18 B3 F12 N7 O2 Ru'
_chemical_formula_weight         581.77
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2019-06-13 deposited with the CCDC.    2019-06-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
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_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.952
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_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19332
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.952
_diffrn_reflns_theta_full        25.242
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_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.190
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_refine_diff_density_rms         0.105
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+1.2336P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1085
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3350
_reflns_number_total             4454
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01432b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7700343--7700344.cif.'
_cod_database_code               7700344
_oxdiff_exptl_absorpt_empirical_full_min 0.952
_oxdiff_exptl_absorpt_empirical_full_max 1.033
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelxl_version_number           2014/6
_shelx_res_checksum              37561
_shelx_fab_checksum              59180