Crystal structures of {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II) di-methyl-formamide disolvate and {μ<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II).
Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1501–1507; doi:10.1107/S2056989017012956

data_2312018
_publ_section_title
;
 Crystal structures of
 {\m<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-methyl-carbamodi-thio-ato)dizinc(II)
 di-methyl-formamide disolvate and
 {\m<sub>2</sub>-<i>N</i>,<i>N</i>'-bis-[(pyridin-3-yl)meth-yl]ethanedi-amide}tetra-kis-(di-<i>n</i>-propyl-carbamodi-thio-ato)dizinc(II).
;
_journal_coeditor_code           HB7704
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1501
_journal_page_last               1507
_journal_paper_doi               10.1107/S2056989017012956
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac
'[Zn2 (C3 H6 N S2)4 (C14 H14 N4 O2)] , 2C3 H7 N O'
_chemical_formula_moiety         'C26 H38 N8 O2 S8 Zn2, 2(C3 H7 N O)'
_chemical_formula_sum            'C32 H52 N10 O4 S8 Zn2'
_chemical_formula_weight         1028.05
_chemical_name_systematic
'{\m~2~-<i>N</i>,<i>N</i>'-bis[(pyridin-3-yl)methyl]ethanediamide}tetrakis(dimethylcarbamodithioato)dizinc(II) dimethylformamide disolvate'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                84.1760(10)
_cell_angle_beta                 75.540(8)
_cell_angle_gamma                61.067(6)
_cell_formula_units_Z            1
_cell_length_a                   9.0998(8)
_cell_length_b                   9.3544(10)
_cell_length_c                   15.508(2)
_cell_measurement_reflns_used    4952
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      40.1891
_cell_measurement_theta_min      2.6220
_cell_volume                     1118.4(2)
_computing_cell_refinement
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_data_collection
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_data_reduction
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and  DIAMOND (Brandenburg,
2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku AFC12K/SATURN724'
_diffrn_measurement_method       \w
_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  0.0258
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9634
_diffrn_reflns_theta_full        27.499
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.622
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.493
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8226
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       prism
_exptl_crystal_F_000             534
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.505
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5062
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0310
_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^)+(0.0453P)^2^+0.5471P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                4874
_reflns_number_total             5062
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7704sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1118.5(2)
_cod_database_code               2312018
_shelx_estimated_absorpt_t_min   0.735
_shelx_estimated_absorpt_t_max   0.903
_shelx_hkl_checksum              89834
_shelx_res_checksum              54251
_cod_database_fobs_code 2312018