1-[(<i>Z</i>)-1-Bromo-2-(butyldichloro-λ^4^-tellanyl)ethenyl]cyclohex-1-ene
Zukerman-Schpector, Julio; Caracelli, Ignez; Guadagnin, Rafael Carlos; Stefani, Hélio A.; Tiekink, Edward R. T.; Acta Crystallographica Section E 67 (2011) o1751–o1752; doi:10.1107/S1600536811023142

data_2230694
_publ_section_title
;
 1-[(<i>Z</i>)-1-Bromo-2-(butyldichloro-\l^4^-tellanyl)ethenyl]cyclohex-1-ene
;
_journal_coeditor_code           HG5055
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1751
_journal_page_last               o1752
_journal_paper_doi               10.1107/S1600536811023142
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C12 H19 Br Cl2 Te'
_chemical_formula_moiety         'C12 H19 Br Cl2 Te'
_chemical_formula_sum            'C12 H19 Br Cl2 Te'
_chemical_formula_weight         441.67
_chemical_name_systematic
;
1-[(<i>Z</i>)-1-Bromo-2-(butyldichloro-\l^4^-tellanyl)ethenyl]cyclohex-1-ene
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.34(2)
_cell_angle_beta                 91.53(2)
_cell_angle_gamma                91.411(14)
_cell_formula_units_Z            2
_cell_length_a                   6.311(3)
_cell_length_b                   10.243(6)
_cell_length_c                   12.334(9)
_cell_measurement_reflns_used    2823
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      30.33
_cell_measurement_theta_min      2.33
_cell_volume                     775.1(8)
_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 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material
'MarvinSketch (Chemaxon, 2010) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      98(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device
;
Rigaku Saturn724
;
_diffrn_measurement_method       dtprofit.ref
_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  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7151
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         26.0
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    4.816
_exptl_absorpt_correction_T_max  0.486
_exptl_absorpt_correction_T_min  0.360
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.590
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         3012
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0321
_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^)+(0.0328P)^2^+2.7479P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                2898
_reflns_number_total             3012
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg5055.cif
_cod_data_source_block           I
_cod_database_code               2230694
_cod_database_fobs_code          2230694