Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage isomerism and catalytic behaviour.
Ferrer, Íngrid; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel; Dalton transactions (Cambridge, England : 2003) 45 (2016) 3163–3174; doi:10.1039/c5dt04376j

data_7037806
_publ_section_title
;
 Ru(ii)-dmso complexes containing azole-based ligands: synthesis, linkage
 isomerism and catalytic behaviour.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3163
_journal_page_last               3174
_journal_paper_doi               10.1039/c5dt04376j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C13 H23 Br Cl2 N2 O3 Ru S3, O H2'
_chemical_formula_sum            'C13 H25 Br Cl2 N2 O4 Ru S3'
_chemical_formula_weight         621.41
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-09-09 deposited with the CCDC.
2015-12-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.18
_cell_volume                     2195.9(18)
_computing_cell_refinement       'Bruker SMART'
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_computing_data_reduction        'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            33944
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0503P)^2^+2.9706P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1050
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_reflns_number_total             5402
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04376j2.cif
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'Adding full bibliography for 7037805--7037809.cif.'
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