Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers
Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka; Journal of the American Chemical Society 135 (2013) 18469–18480; doi:10.1021/ja4076056

data_4121270
_publ_section_title
;
 Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based
 on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18469
_journal_page_last               18480
_journal_paper_doi               10.1021/ja4076056
_journal_volume                  135
_journal_year                    2013
_chemical_formula_moiety         'C44 H32 Cl4 N2 O12 Ru2'
_chemical_formula_sum            'C44 H32 Cl4 N2 O12 Ru2'
_chemical_formula_weight         1124.68
_chemical_name_common            '[Ru2(4-Cl-2-OMe-PhCO2)4(phz)]'
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.836(4)
_cell_angle_beta                 106.536(5)
_cell_angle_gamma                86.339(5)
_cell_formula_units_Z            1
_cell_length_a                   9.8692(4)
_cell_length_b                   11.0682(3)
_cell_length_c                   10.7563(4)
_cell_measurement_temperature    100(1)
_cell_volume                     1100.55(8)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_structure_solution    FOX
_diffrn_ambient_temperature      100(1)
_diffrn_detector                 'imaging plate'
_diffrn_measurement_device_type  debye-scherrer
_diffrn_radiation_monochromator  'Si crystal'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.799090
_diffrn_source                   synchrotron
_exptl_crystal_density_diffrn    1.6969
_exptl_crystal_F_000             562.00
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  dark_brown
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        78.0500
_pd_meas_2theta_range_min        2.0000
_pd_meas_number_of_points        7606
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        50.0000
_pd_proc_2theta_range_min        3.0000
_pd_proc_ls_background_function  'composite background function'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split Pearson VII function'
_pd_proc_ls_prof_R_factor        0.01965
_pd_proc_ls_prof_wR_expected     0.00603
_pd_proc_ls_prof_wR_factor       0.02783
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.6158
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_constraints    30
_refine_ls_number_parameters     103
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.01860
_refine_ls_R_Fsqd_factor         0.01815
_refine_ls_R_I_factor            0.04114
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ja4076056_si_007.cif
_cod_data_source_block           Ru-4Cl2OMe-phz-dry
_cod_database_code               4121270