Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.
Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong; Journal of the American Chemical Society 137 (2015) 13018–13023; doi:10.1021/jacs.5b07625

data_4129526
_publ_section_title
;
 Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric
 Tetrapyridyl Metalloligand and the Effect of Spacer Units.
;
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13018
_journal_page_last               13023
_journal_paper_doi               10.1021/jacs.5b07625
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C79 Co F12 N4 O23 Ru4 S4'
_chemical_formula_weight         2192.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 93.01(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.472(5)
_cell_length_b                   25.490(9)
_cell_length_c                   26.207(8)
_cell_measurement_temperature    296(2)
_cell_volume                     9654(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0920
_diffrn_reflns_av_unetI/netI     0.0673
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22355
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        15.849
_diffrn_reflns_theta_max         15.849
_diffrn_reflns_theta_min         1.115
_exptl_absorpt_coefficient_mu    0.955
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_F_000             4244
_refine_diff_density_max         1.958
_refine_diff_density_min         -0.901
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.441
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         4468
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      2.437
_refine_ls_R_factor_all          0.1817
_refine_ls_R_factor_gt           0.1299
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.5165P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3245
_refine_ls_wR_factor_ref         0.3583
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3123
_reflns_number_total             4468
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b07625_si_003.cif
_cod_data_source_block           rjy10
_cod_original_cell_volume        9654(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4129526
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              51870
_shelx_hkl_checksum              90984