Di-μ-dimethylformamide-κ^4^<i>O</i>:<i>O</i>-μ-tetrahydrofuran-κ^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-κ<i>O</i>)sodium(I)] bis(μ-3,6-dichlorobenzene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')iron(III)]
Barrio, Jesús; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Perles, Josefina; Zamora, Félix; IUCrData 1 (2016) x160643–; doi:10.1107/S241431461600643X

data_1543170
_publ_section_title
;
 Di-\m-dimethylformamide-\k^4^<i>O</i>:<i>O</i>-\m-tetrahydrofuran-\k^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-\k<i>O</i>)sodium(I)]
 bis(\m-3,6-dichlorobenzene-1,2-dithiolato-\k^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-\k^2^<i>S</i>,<i>S</i>')iron(III)]
;
_journal_coeditor_code           BH4005
_journal_issue                   4
_journal_name_full               IUCrData
_journal_page_first              x160643
_journal_paper_doi               10.1107/S241431461600643X
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac
'[Na2 (C3 H7 N O)2 (C4 H8 O)5] [Fe2 (C6 H2 Cl2 S2)4]'
_chemical_formula_moiety         'C24 H8 Cl8 Fe2 S8 2+, C26 H54 N2 Na2 O7 2-'
_chemical_formula_sum            'C50 H62 Cl8 Fe2 N2 Na2 O7 S8'
_chemical_formula_weight         1500.77
_chemical_name_systematic
;Di-\m-dimethylformamide-\k^4^<i>O</i>:<i>O</i>-\m-tetrahydrofuran-\k^2^<i>O</i>:<i>O</i>-bis[(tetrahydrofuran-\k<i>O</i>)sodium(I)]
bis(\m-3,6-dichlorobenzene-1,2-dithiolato-\k^3^<i>S</i>,<i>S</i>':<i>S</i>)bis[(3,6-dichlorobenzene-1,2-dithiolato-\k^2^<i>S</i>,<i>S</i>')iron(III)]
;
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'APEX3 v2015.5-2'
_cell_angle_alpha                90
_cell_angle_beta                 121.609(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.063(2)
_cell_length_b                   9.9393(6)
_cell_length_c                   25.645(3)
_cell_measurement_reflns_used    3584
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      22.1064
_cell_measurement_theta_min      2.2081
_cell_volume                     6309.0(10)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2013 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100.(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEXII'
_diffrn_measurement_method       '\q and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1008
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            43114
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        0.0(2)
_diffrn_standards_interval_time  908
_diffrn_standards_number         5765
_exptl_absorpt_coefficient_mu    1.127
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            'deep purple'
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3080
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.259
_refine_diff_density_min         -0.460
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         5762
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0622
_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^)+(0.0854P)^2^+20.9273P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1447
_refine_ls_wR_factor_ref         0.1691
_reflns_number_gt                3785
_reflns_number_total             5765
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bh4005sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        6309.0(9)
_cod_database_code               1543170
_shelx_hkl_checksum              89749
_shelx_res_checksum              76186
_cod_database_fobs_code 1543170