Synthesis and Structure of a Family of Rhodium Polystannide Clusters [Rh@Sn10]3–, [Rh@Sn12]3–, [Rh2@Sn17]6– and the First Triply-Fused Stannide, [Rh3@Sn24]5–
Liu, Chao; Jin, Xiao; Li, Leijiao; Xu, Jun; McGrady, John E.; Sun, Zhong-Ming; Chemical Science  (2019) –; doi:10.1039/C8SC03948H

data_1550733
_publ_section_title
;
 Synthesis and Structure of a Family of Rhodium Polystannide Clusters
 [Rh@Sn10]3--, [Rh@Sn12]3--, [Rh2@Sn17]6-- and the First Triply-Fused
 Stannide, [Rh3@Sn24]5--
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC03948H
_journal_year                    2019
_chemical_formula_sum            'C30 H61 K1.5 N4 O10 Rh0.5 Sn6'
_chemical_formula_weight         1460.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-02 deposited with the CCDC.    2019-03-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.132(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.302(5)
_cell_length_b                   17.503(3)
_cell_length_c                   21.667(4)
_cell_measurement_reflns_used    5625
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.09
_cell_measurement_theta_min      1.82
_cell_volume                     10274(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            31375
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.054
_diffrn_reflns_theta_min         1.503
_exptl_absorpt_coefficient_mu    3.194
_exptl_absorpt_correction_T_max  0.384
_exptl_absorpt_correction_T_min  0.235
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_description       block
_exptl_crystal_F_000             5600
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         2.298
_refine_diff_density_min         -1.239
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         10093
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0477
_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^)+(0.0573P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1254
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7224
_reflns_number_total             10093
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8sc03948h2.cif
_cod_data_source_block           5
_cod_original_formula_sum        'C30 H61 K1.50 N4 O10 Rh0.50 Sn6'
_cod_database_code               1550733
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              1968