[M4Sn4Se17](10-) Cluster Anions (M = Mn, Zn, Cd) in a Cs(+) Environment and as Ternary Precursors for Ionothermal Treatment.
Santner, Silke; Dehnen, Stefanie; Inorganic chemistry 54 (2015) 1188–1190; doi:10.1021/ic5026087

data_4342259
_publ_section_title
;
 [M4Sn4Se17](10-) Cluster Anions (M = Mn, Zn, Cd) in a Cs(+) Environment
 and as Ternary Precursors for Ionothermal Treatment.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1188
_journal_page_last               1190
_journal_paper_doi               10.1021/ic5026087
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Cs10 Mn4 O15.5 Se17 Sn4'
_chemical_formula_weight         3613.94
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                77.02(3)
_cell_angle_beta                 74.35(3)
_cell_angle_gamma                69.71(3)
_cell_formula_units_Z            2
_cell_length_a                   13.717(3)
_cell_length_b                   15.502(3)
_cell_length_c                   18.481(4)
_cell_measurement_reflns_used    7642
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      51.63
_cell_measurement_theta_min      6.07
_cell_volume                     3511.8(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.913
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_device_type  'STOE IPDS I'
_diffrn_measurement_method       '\j scans'
_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  0.1180
_diffrn_reflns_av_sigmaI/netI    0.2091
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32605
_diffrn_reflns_theta_full        25.48
_diffrn_reflns_theta_max         25.48
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    16.043
_exptl_absorpt_correction_T_max  0.3484
_exptl_absorpt_correction_T_min  0.2308
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.390
_refine_diff_density_min         -2.587
_refine_diff_density_rms         0.221
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.718
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         11915
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.718
_refine_ls_R_factor_all          0.1280
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0103P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0890
_reflns_number_gt                5133
_reflns_number_total             11915
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5026087_si_002.cif
_cod_data_source_block           mn-o-merg
_cod_depositor_comments
'Adding full bibliography for 4342256--4342259.cif.'
_cod_original_cell_volume        3511.8(12)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Cs10 Mn4 O15.50 Se17 Sn4'
_cod_database_code               4342259