A square-planar tellurium(II) complex with <i>Te</i>,<i>Te</i>'-chelating ligands
Chivers, Tristram; Ritch, Jamie S.; Acta Crystallographica Section C 71 (2015) 407–409; doi:10.1107/S2053229615007949

data_2019942
_publ_section_title
;
 A square-planar tellurium(II) complex with <i>Te</i>,<i>Te</i>'-chelating
 ligands
;
_journal_coeditor_code           YP3092
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              407
_journal_page_last               409
_journal_paper_doi               10.1107/S2053229615007949
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C48 H40 N2 P4 Te5'
_chemical_formula_moiety         'C48 H40 N2 P4 Te5'
_chemical_formula_sum            'C48 H40 N2 P4 Te5'
_chemical_formula_weight         1406.70
_chemical_name_common
Bis[<i>P</i>,<i>P</i>,<i>P</i>',<i>P</i>'-tetraphenylditelluridoimidodiphosphinato-\k^2^<i>Te</i>]tellurium(II)
_chemical_name_systematic
2,2,4,4,8,8,10,10-Octaphenyl-1\l^3^,5,6\l^4^,7\l^3^,11-pentatellura-3,9-diaza-2\l^5^,4\l^5^,8\l^5^,10\l^5^-tetraphosphaspiro[5.5]undeca-1,3,7,9-tetraene
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 113.47(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.021(2)
_cell_length_b                   14.950(3)
_cell_length_c                   15.893(3)
_cell_measurement_reflns_used    41094
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.72
_cell_volume                     2402.0(10)
_computing_cell_refinement
;
DENZO (Nonius, 2001)
;
_computing_data_collection
;
COLLECT (Nonius, 2001)
;
_computing_data_reduction
;
DENZO (Nonius, 2001)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w  scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8246
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.725
_exptl_absorpt_coefficient_mu    3.168
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.939
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
(SCALEPACK; Otwinowski & Minor, 1997)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.602
_refine_diff_density_min         -0.713
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4216
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0334P)^2^+3.8459P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0825
_reflns_number_gt                3159
_reflns_number_total             4216
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            yp3092sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2402.2(10)
_cod_database_code               2019942
_shelx_estimated_absorpt_t_min   0.939
_shelx_estimated_absorpt_t_max   0.939
_shelx_hkl_checksum              99056
_shelx_res_checksum              57933
_cod_database_fobs_code 2019942