Anisotropic Templating Effect in the Formation of Two-Dimensional Anionic Cadmium-Thiocyanate Coordination Solids [(12C4)2Cd][Cd2(SCN)6] and [(12C4)2Cd][Cd3(SCN)8] with Checkerboard and Herringbone Patterns, Respectively
Hong Zhang; Ximin Wang; H. Zhu; W. Xiao; Kecong Zhang; Boon K. Teo; Inorganic Chemistry 38 (1999) 886–892; doi:10.1021/ic980387v

data_4321815
_publ_contact_author
; Prof. Boon K. Teo
 Department of Chemistry
 University of Illinois at Chicago
 Chicago, Il 60607
;
_publ_contact_author_email       ' boonkteo@uic.edu '
_publ_contact_author_fax         ' 312-996-9422* '
_publ_contact_author_phone       ' 312-996-9422 '
_publ_section_title
;
 Anisotropic Templating Effect in the Formation of Two-Dimensional Anionic
 Cadmium-Thiocyanate Coordination Solids [(12C4)2Cd][Cd2(SCN)6] and
 [(12C4)2Cd][Cd3(SCN)8] with Checkerboard and Herringbone Patterns,
 Respectively
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              886
_journal_page_last               892
_journal_paper_doi               10.1021/ic980387v
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C24 H32 Cd4 N8 O8 S8'
_chemical_formula_weight         1266.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 92.84(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   11.604(7)
_cell_length_b                   11.366(7)
_cell_length_c                   15.736(4)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      26.14
_cell_measurement_theta_min      21.20
_cell_volume                     2072.9(19)
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode X-ray generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.99
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4510
_diffrn_reflns_theta_max         26
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        1.26
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.4818
_exptl_absorpt_correction_T_max  1.050
_exptl_absorpt_correction_T_min  0.961
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   Walker&Stuart_DIFABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.029
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'truncated polyhedron'
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.42140
_refine_diff_density_min         -0.46940
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.190
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         2915
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0300
_refine_ls_shift/esd_max         1.8400
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0310
_reflns_number_observed          2915
_reflns_number_total             4294
_reflns_observed_criterion       >3sigma(I)
_cod_data_source_file            ic980387v_2.cif
_cod_data_source_block           '[(12C4)2Cd][Cd3(SCN)8]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2072(1)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'Cd4 S8 N8 O8 C24 H32'
_cod_database_code               4321815