A two-dimensional coordination polymer: poly[[bis-[μ<sub>2</sub>-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmeth-yl)di-thio-carbamato-κ<sup>3</sup><i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)] 3-methyl-pyridine monosolvate].
Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 488–492; doi:10.1107/S2056989017003516

data_2311363
_publ_section_title
;
 A two-dimensional coordination polymer:
 poly[[bis-[\m<sub>2</sub>-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmeth-yl)di-thio-carbamato-\k<sup>3</sup><i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)]
 3-methyl-pyridine monosolvate].
;
_journal_coeditor_code           HB7664
_journal_issue                   'Pt 4'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              488
_journal_page_last               492
_journal_paper_doi               10.1107/S2056989017003516
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cd (C9 H11 N2 S2)2], C6 H7 N'
_chemical_formula_moiety         'C18 H22 Cd N4 S4, C6 H7 N'
_chemical_formula_sum            'C24 H29 Cd N5 S4'
_chemical_formula_weight         628.16
_chemical_name_systematic
;
Poly[[bis[\m~2~-<i>N</i>-ethyl-<i>N</i>-(pyridin-4-ylmethyl)dithiocarbamato-\
\k^3^<i>N</i>:<i>S</i>,<i>S</i>']cadmium(II)] 3-methylpyridine monosolvate]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 100.014(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.5842(15)
_cell_length_b                   11.0788(16)
_cell_length_c                   12.989(2)
_cell_measurement_reflns_used    6543
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      40.7
_cell_measurement_theta_min      2.4
_cell_volume                     1358.2(4)
_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
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  AFC12\K/SATURN724
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10508
_diffrn_reflns_theta_full        27.499
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.432
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.134
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.945
_refine_diff_density_min         -1.198
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 2244 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   0.035(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         5618
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0371
_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^)+(0.0304P)^2^+3.8335P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                5586
_reflns_number_total             5618
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7664sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2311363
_shelx_estimated_absorpt_t_min   0.780
_shelx_estimated_absorpt_t_max   0.895
_shelx_hkl_checksum              26928
_shelx_res_checksum              30658