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_4129525
_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            'C166 Co2 F18 N8 O38 Ru8 S7'
_chemical_formula_weight         4206.58
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                70.437(2)
_cell_angle_beta                 76.340(2)
_cell_angle_gamma                68.855(2)
_cell_formula_units_Z            2
_cell_length_a                   18.6286(6)
_cell_length_b                   22.3857(7)
_cell_length_c                   27.5313(9)
_cell_measurement_temperature    100(2)
_cell_volume                     10002.5(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.972
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1198
_diffrn_reflns_av_unetI/netI     0.1444
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            237144
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.953
_diffrn_reflns_theta_min         0.792
_exptl_absorpt_coefficient_mu    0.902
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_F_000             4072
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         6.742
_refine_diff_density_min         -4.234
_refine_diff_density_rms         0.338
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.220
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     989
_refine_ls_number_reflns         38034
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.220
_refine_ls_R_factor_all          0.2845
_refine_ls_R_factor_gt           0.1692
_refine_ls_shift/su_max          0.005
_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^+0.0904P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3861
_refine_ls_wR_factor_ref         0.4275
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19931
_reflns_number_total             38034
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b07625_si_004.cif
_cod_data_source_block           ryj28-3
_cod_database_code               4129525
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.915
_shelx_estimated_absorpt_t_max   0.948
_shelx_res_checksum              6892
_shelx_hkl_checksum              79005