Wheel-to-rhomboid isomerization as well as nitrene transfer catalysis of ruthenium-thiolate wheels.
Tso, Ken Chi-Hang; Chan, Sharon Lai-Fung; Huang, Jie-Sheng; Che, Chi-Ming; Chemical communications (Cambridge, England) 53 (2017) 2419–2422; doi:10.1039/c6cc09903c

data_7119540
_publ_section_title
;
 Wheel-to-rhomboid isomerization as well as nitrene transfer catalysis of
 ruthenium-thiolate wheels.
;
_journal_issue                   16
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2419
_journal_page_last               2422
_journal_paper_doi               10.1039/c6cc09903c
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety
'C176 H208 Ag O16 Ru8 S16, 6(C H Cl3), 2(O), Cl'
_chemical_formula_sum            'C182 H214 Ag Cl19 O18 Ru8 S16'
_chemical_formula_weight         4792.65
_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
_audit_update_record
;
2016-12-13 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                100.823(2)
_cell_angle_beta                 99.390(2)
_cell_angle_gamma                92.923(2)
_cell_formula_units_Z            1
_cell_length_a                   15.7927(7)
_cell_length_b                   18.7549(8)
_cell_length_c                   19.7968(9)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      60
_cell_measurement_theta_min      4
_cell_volume                     5662.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.924
_diffrn_measured_fraction_theta_max 0.924
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0711
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            70572
_diffrn_reflns_theta_full        66.37
_diffrn_reflns_theta_max         66.37
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    8.729
_exptl_absorpt_correction_T_max  0.50
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2428
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.674
_refine_diff_density_min         -3.633
_refine_diff_density_rms         0.311
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.788
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     691
_refine_ls_number_reflns         18418
_refine_ls_number_restraints     760
_refine_ls_restrained_S_all      2.117
_refine_ls_R_factor_all          0.1527
_refine_ls_R_factor_gt           0.1390
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1800P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3581
_refine_ls_wR_factor_ref         0.3798
_reflns_number_gt                15176
_reflns_number_total             18418
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc09903c2.cif
_cod_data_source_block           ruthenium8
_cod_depositor_comments
'Adding full bibliography for 7119539--7119540.cif.'
_cod_database_code               7119540