4-(Dimethylamino)phenyl ethynyl telluride
Farran, Joan; Alvarez-Larena, Angel; Piniella, Joan F.; Capparelli, Mario V.; Acta Crystallographica Section E 65 (2009) o812–o813; doi:10.1107/S1600536809009404

data_2221261
_publ_section_title
;
 4-(Dimethylamino)phenyl ethynyl telluride
;
_journal_coeditor_code           BG2241
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o812
_journal_page_last               o813
_journal_paper_doi               10.1107/S1600536809009404
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C10 H11 N Te'
_chemical_formula_moiety         'C10 H11 N Te'
_chemical_formula_sum            'C10 H11 N Te'
_chemical_formula_weight         272.80
_chemical_name_systematic
;
4-(Dimethylamino)phenyl ethynyl telluride
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                65.788(2)
_cell_angle_beta                 66.9220(10)
_cell_angle_gamma                83.444(2)
_cell_formula_units_Z            2
_cell_length_a                   7.8857(7)
_cell_length_b                   8.3851(8)
_cell_length_c                   9.3364(9)
_cell_measurement_reflns_used    1735
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.6
_cell_measurement_theta_min      2.7
_cell_volume                     517.18(8)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean 8.13
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_device_type  'Brruker SMART APEX'
_diffrn_measurement_method       '\f and \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  0.0121
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3574
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.88
_diffrn_reflns_theta_min         2.59
_diffrn_standards_decay_%        0.4
_exptl_absorpt_coefficient_mu    2.824
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            'pale brown'
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             260
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.349
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         2401
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/esd_max         0.005
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_max_lt       0.0005
_refine_ls_shift/su_mean         <0.0005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+0.1129P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0873
_reflns_number_gt                2080
_reflns_number_total             2401
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2241.cif
_cod_data_source_block           I
_cod_database_code               2221261
_cod_database_fobs_code          2221261