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_4121267
_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         'C40 H40 Cl4 O14 Rh2'
_chemical_formula_sum            'C40 H40 Cl4 O14 Rh2'
_chemical_formula_weight         1092.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 92.226(8)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   12.686(3)
_cell_length_b                   12.859(3)
_cell_length_c                   12.828(3)
_cell_measurement_reflns_used    1297
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.54
_cell_volume                     2091.0(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15987
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.110
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_description       prism
_exptl_crystal_F_000             1100.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.070
_refine_diff_density_max         1.790
_refine_diff_density_min         -1.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4704
_refine_ls_number_restraints     137
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0642P)^2^+2.6305P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1282
_reflns_number_gt                4034
_reflns_number_total             4704
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja4076056_si_004.cif
_cod_data_source_block           Rh2-4-Cl-anisate-THF
_cod_original_cell_volume        2091.1(7)
_cod_database_code               4121267