Cis‒trans isomerization of {RuNO}6-type nitrosylruthenium complexes containing 2-pyridinecarboxylate and structural characterization of a µ-H3O2 bridged dinuclear nitrosylruthenium complex
Hirano, Toshiyuki; Kuroda, Mai; Takeda, Naoko; Hayashi, Mitsunori; Mukaida, Masao; Oi, Takao; Nagao, Hirotaka; Journal of the Chemical Society, Dalton Transactions  (2002) 2158–; doi:10.1039/b200417h

data_7011474
_publ_section_title
;
 Cis--trans isomerization of {RuNO}6-type nitrosylruthenium complexes
 containing 2-pyridinecarboxylate and structural characterization of a
 &#x00B5;-H3O2 bridged dinuclear nitrosylruthenium complex
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2158
_journal_paper_doi               10.1039/b200417h
_journal_year                    2002
_chemical_formula_sum            'C24 H23 F6 N6 O14 P Ru2'
_chemical_formula_weight         966.58
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.750(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.7164(2)
_cell_length_b                   13.5928(2)
_cell_length_c                   21.0368(4)
_cell_measurement_reflns_used    12786
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.8
_cell_volume                     3301.90(10)
_diffrn_ambient_temperature      123.2
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            28439
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.074
_exptl_absorpt_correction_T_max  0.936
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.944
_exptl_crystal_description       chip
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.96
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     478
_refine_ls_number_reflns         5535
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0364
_reflns_number_total             7559
_cod_data_source_file            b200417h.txt
_cod_data_source_block           '[{Ru(NO)(pyca)2}2(H3O2)]PF6_2H2O'
_cod_original_cell_volume        3301.88(9)
_cod_original_formula_sum        'C24 H23 F6 N6 O14 P Ru2 '
_cod_database_code               7011474