Bis(2-aminoethylammonium) (ethylenediammonium) (di-μ-sulfido-κ^2^<i>S</i>:<i>S</i>)bis[dithiostannate(IV)]
Puls, Angela; Näther, Christian; Bensch, Wolfgang; Acta Crystallographica Section E 61 (2005) m868–m870; doi:10.1107/S1600536805010871

data_2205650
_publ_section_title
;
 Bis(2-aminoethylammonium) (ethylenediammonium)
 (di-\m-sulfido-\k^2^<i>S</i>:<i>S</i>)bis[dithiostannate(IV)]
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m868
_journal_page_last               m870
_journal_paper_doi               10.1107/S1600536805010871
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '(C2 H10 N2) (C2 H9 N2)2 [Sn2 S6]'
_chemical_formula_moiety         'C2 H10 N2 2+ , 2C2 H9 N2 + , S6 Sn2 4-'
_chemical_formula_sum            'C6 H28 N6 S6 Sn2'
_chemical_formula_weight         614.08
_chemical_name_systematic
;
Bis(2-aminoethylammonium)(ethylenediammonium)(di-\m-sulfido-
\k^2^S:S)bis[disulfidotin(IV)]
;
_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           SHELXL97
_cell_angle_alpha                74.845(10)
_cell_angle_beta                 72.997(10)
_cell_angle_gamma                88.978(10)
_cell_formula_units_Z            2
_cell_length_a                   8.7638(7)
_cell_length_b                   10.7287(10)
_cell_length_c                   12.2216(10)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2.5
_cell_volume                     1058.54(18)
_computing_cell_refinement       IPDS
_computing_data_collection       'IPDS (Stoe & Cie, 1998)'
_computing_data_reduction        IPDS
_computing_molecular_graphics    'XP in SHELXTL (Bruker, 1998)'
_computing_publication_material  'CIFTAB in SHELXL97'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Stoe IPDS-1'
_diffrn_measurement_method       \f
_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  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11088
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.950
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.912
_refine_diff_density_min         -1.800
_refine_ls_extinction_coef       0.0039(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     186
_refine_ls_number_reflns         4820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0472P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                3926
_reflns_number_total             4820
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6643.cif
_cod_data_source_block           I
_cod_original_cell_volume        1058.54(16)
_cod_database_code               2205650
_cod_database_fobs_code          2205650