Novel coordination polymers based on the tetrathioterephthalate dianion as the bridging ligand.
Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.; Inorganic chemistry 46 (2007) 8487–8489; doi:10.1021/ic701414v

data_4339523
_publ_section_title
;
 Novel coordination polymers based on the tetrathioterephthalate dianion
 as the bridging ligand.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8487
_journal_page_last               8489
_journal_paper_doi               10.1021/ic701414v
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C17 H25 N3 O3 S4 Zn'
_chemical_formula_weight         513
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.219(10)
_cell_angle_beta                 99.415(11)
_cell_angle_gamma                92.663(10)
_cell_formula_units_Z            2
_cell_length_a                   7.0008(10)
_cell_length_b                   9.7164(11)
_cell_length_c                   16.693(2)
_cell_measurement_reflns_used    9681
_cell_volume                     1115.2(2)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      100.0(3)
_diffrn_measured_fraction_theta_full 0.80
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70926
_diffrn_reflns_av_R_equivalents  0.1433
_diffrn_reflns_av_sigmaI/netI    0.1343
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14818
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         29.30
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    1.508
_exptl_absorpt_correction_T_max  0.8309
_exptl_absorpt_correction_T_min  0.6894
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'x-shape 2.07'
_exptl_crystal_density_diffrn    1.5273
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.60
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.34
_refine_ls_goodness_of_fit_ref   1.19
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3204
_refine_ls_number_restraints     100
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.0087
_refine_ls_shift/su_mean         0.0015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0016I^2^)
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic701414v-file002.cif
_cod_data_source_block           (I)
_cod_original_cell_volume        1115.2(3)
_cod_original_formula_sum        'C17 H25 N3 O3 S4 Zn1'
_cod_database_code               4339523