[Te(CN)4] versus [Te(CN)3(µ-CN)]n
Lentz, Dieter; Szwak, Małgorzata; Dalton Transactions  (2008) 1289–1291; doi:10.1039/b714869k

data_7003251
_publ_section_title
;
 [Te(CN)4] versus [Te(CN)3(&#x00B5;-CN)]n
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1289
_journal_page_last               1291
_journal_paper_doi               10.1039/b714869k
_journal_year                    2008
_chemical_formula_sum            'C10 H14 N4 O3 Te'
_chemical_formula_weight         365.85
_chemical_name_common
;Tellurium Tetracyanide Bis(2-methoxyethyl)ether Polymere
Solvate
;
_chemical_name_systematic
;
Tellurium Tetracyanide Bis(2-methoxyethyl)ether Polymere Solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.621(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.202(3)
_cell_length_b                   10.921(3)
_cell_length_c                   13.142(4)
_cell_measurement_reflns_used    688
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.1
_cell_measurement_theta_min      2.7
_cell_volume                     1451.3(7)
_computing_cell_refinement       'SAINT (Bruker-AXS)'
_computing_data_collection       'SMART (Bruker-AXS)'
_computing_data_reduction        'SAINT (Bruker-AXS)'
_computing_molecular_graphics    'Ortep for Windows ( Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SMART CCD (Bruker-AXS)'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0930
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9100
_diffrn_reflns_theta_full        22.56
_diffrn_reflns_theta_max         22.56
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    2.056
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker-AXS)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.697
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         1901
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0209P)^2^+10.9704P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0969
_reflns_number_gt                1303
_reflns_number_total             1901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b714869k.txt
_cod_data_source_block           sad
_cod_original_cell_volume        1451.3(8)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7003251