Two novel selenidostannates from mixed structure-directing systems: the large ten-membered ring of [Sn3Se4] semicubes and the 3D [Sn4Se9]n(2n-) with multi-channels.
Du, Cheng-Feng; Shen, Nan-Nan; Li, Jian-Rong; Hao, Min-Ting; Wang, Zi; Cheng, Chu-Chu; Huang, Xiao-Ying; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9523–9528; doi:10.1039/c6dt01482h

data_7039223
_publ_section_title
;
 Two novel selenidostannates from mixed structure-directing systems: the
 large ten-membered ring of [Sn3Se4] semicubes and the 3D [Sn4Se9]n(2n-)
 with multi-channels.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9523
_journal_page_last               9528
_journal_paper_doi               10.1039/c6dt01482h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'Se18 Sn8, C8 H26 N6 Ni, 1.5(C9 H17 N2), 0.5(C4 H13 N3)'
_chemical_formula_sum            'C23.5 H58.5 N10.5 Ni Se18 Sn8'
_chemical_formula_weight         2917.81
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2016-05-06 deposited with the CCDC.
2016-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.966(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.0882(15)
_cell_length_b                   10.5393(7)
_cell_length_c                   19.9712(8)
_cell_measurement_reflns_used    7541
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1290
_cell_measurement_theta_min      3.6180
_cell_volume                     6444.8(6)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_device_type  'SuperNova (Mo) X-ray Source'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_unetI/netI     0.0752
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            37023
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.467
_diffrn_reflns_theta_min         3.307
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    13.527
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.32856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.007
_exptl_crystal_description       sheet
_exptl_crystal_F_000             5252
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.394
_refine_diff_density_min         -2.009
_refine_diff_density_rms         0.344
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         15168
_refine_ls_number_restraints     1100
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+86.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1118
_refine_ls_wR_factor_ref         0.1255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11799
_reflns_number_total             15168
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01482h2.cif
_cod_data_source_block           compound-2-CD12-47F
_cod_depositor_comments
'Adding full bibliography for 7039222--7039223.cif.'
_cod_original_formula_sum        'C23.50 H58.50 N10.50 Ni Se18 Sn8'
_cod_database_code               7039223
_shelxl_version_number           2014-3
_shelx_res_checksum              84678