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_7039222
_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         'Se14 Sn6, C8 H26 N6 Ni, 2(C9 H17 N2)'
_chemical_formula_sum            'C26 H60 N10 Ni Se14 Sn6'
_chemical_formula_weight         2389.13
_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
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   13.3778(3)
_cell_length_c                   17.7885(5)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.5870
_cell_measurement_theta_min      3.6230
_cell_volume                     5786.8(3)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.852
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.852
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            33969
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.852
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.691
_diffrn_reflns_theta_min         3.341
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    11.703
_exptl_absorpt_correction_T_max  0.716
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.742
_exptl_crystal_description       block
_exptl_crystal_F_000             4360
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.701
_refine_diff_density_min         -2.470
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         12714
_refine_ls_number_restraints     1694
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+60.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0759
_refine_ls_wR_factor_ref         0.0812
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10647
_reflns_number_total             12714
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01482h2.cif
_cod_data_source_block           compound-1-CD12-47A
_cod_depositor_comments
'Adding full bibliography for 7039222--7039223.cif.'
_cod_database_code               7039222
_shelxl_version_number           2014-3
_shelx_res_checksum              32291