Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.
Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi; Inorganic chemistry 55 (2016) 12085–12092; doi:10.1021/acs.inorgchem.6b02349

data_4349305
_publ_section_title
;
 Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly
 Electron Donating Dopants.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12085
_journal_page_last               12092
_journal_paper_doi               10.1021/acs.inorgchem.6b02349
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C44 H35.48 Cl0.52 N2 O12 Ru2'
_chemical_formula_sum            'C44 H35.48 Cl0.52 N2 O12 Ru2'
_chemical_formula_weight         1004.814
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                92.192(5)
_cell_angle_beta                 97.166(5)
_cell_angle_gamma                102.015(6)
_cell_formula_units_Z            1
_cell_length_a                   9.5608(4)
_cell_length_b                   10.4007(5)
_cell_length_c                   10.5941(4)
_cell_measurement_temperature    100
_cell_volume                     1020.10(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 (Favre-Nicolin and Cerny, 2002)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'imaging plate'
_diffrn_measurement_device_type  debye-scherrer
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.800400
_diffrn_source                   synchrotron
_diffrn_source_type              'SPring-8 BL44B2'
_exptl_crystal_density_diffrn    1.6357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             506.32
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  green
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        60.0000
_pd_meas_2theta_range_min        2.0000
_pd_meas_number_of_points        5801
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        50.0000
_pd_proc_2theta_range_min        2.0000
_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        0.04294
_pd_proc_ls_prof_wR_expected     0.00740
_pd_proc_ls_prof_wR_factor       0.05945
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   8.0291
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_constraints    29
_refine_ls_number_parameters     103
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.00778
_refine_ls_R_Fsqd_factor         0.00784
_refine_ls_R_I_factor            0.02434
_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            ic6b02349_si_002.cif
_cod_data_source_block           Ru-anis-phz_87
_cod_original_cell_volume        1020.09(8)
_cod_database_code               4349305