Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.
Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong; Journal of the American Chemical Society 137 (2015) 5863–5866; doi:10.1021/jacs.5b01253

data_4123785
_publ_section_title
;
 Selective Formation of Heterometallic Ru-Ag Supramolecules via
 Stoichiometric Control of Multiple Different Tectons.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5863
_journal_page_last               5866
_journal_paper_doi               10.1021/jacs.5b01253
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C109 H102 Ag6 F18 N24 O25 Ru6 S6'
_chemical_formula_weight         3936.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.2850(10)
_cell_angle_beta                 114.2580(10)
_cell_angle_gamma                104.7440(10)
_cell_formula_units_Z            1
_cell_length_a                   16.1775(3)
_cell_length_b                   16.6309(3)
_cell_length_c                   17.1767(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3884.84(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1520
_diffrn_reflns_av_sigmaI/netI    0.2722
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37147
_diffrn_reflns_theta_full        25.38
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.470
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1928
_refine_diff_density_max         1.321
_refine_diff_density_min         -0.714
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     891
_refine_ls_number_reflns         13956
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.2348
_refine_ls_R_factor_gt           0.0825
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.7240P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1786
_refine_ls_wR_factor_ref         0.2362
_reflns_number_gt                5494
_reflns_number_total             13956
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5b01253_si_004.cif
_cod_data_source_block           yj07-2
_cod_original_cell_volume        3884.83(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4123785