Synthesis and structures of M[N(TePPri2)2-Te,Te']n (n = 2, M = Zn, Cd, Hg; n = 3, M = Sb, Bi): the first ditelluroimidodiphosphinato p- and d-block metal complexes.
Chivers, Tristram; Eisler, Dana J.; Ritch, Jamie S.; Dalton transactions (Cambridge, England : 2003)  (2005) 2675–2677; doi:10.1039/b506174a

data_7008704
_publ_section_title
;
 Synthesis and structures of M[N(TePPri2)2-Te,Te']n (n = 2, M = Zn, Cd,
 Hg; n = 3, M = Sb, Bi): the first ditelluroimidodiphosphinato p- and
 d-block metal complexes.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2675
_journal_page_last               2677
_journal_paper_doi               10.1039/b506174a
_journal_year                    2005
_chemical_formula_sum            'C24 H56 Hg N2 P4 Te4'
_chemical_formula_weight         1207.58
_chemical_name_systematic        ?
_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                95.78(3)
_cell_angle_beta                 91.69(3)
_cell_angle_gamma                93.24(3)
_cell_formula_units_Z            6
_cell_length_a                   15.941(3)
_cell_length_b                   18.177(4)
_cell_length_c                   20.526(4)
_cell_measurement_temperature    173(2)
_cell_volume                     5904(2)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phi\omega scans'
_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  0.057
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            83856
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    6.995
_exptl_absorpt_correction_T_max  0.3658
_exptl_absorpt_correction_T_min  0.3352
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.038
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3372
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.137
_refine_diff_density_min         -1.458
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     946
_refine_ls_number_reflns         26842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0291P)^2^+22.9547P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0850
_reflns_number_gt                21683
_reflns_number_total             26842
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b506174a.txt
_cod_data_source_block           2c
_cod_depositor_comments
;
 Adding missing _atom_type_symbol, _atom_type_description,
 _atom_type_scat_dispersion_real, _atom_type_scat_dispersion_imag
 data item tags to the _atom_type loop.

 Antanas Vaitkus,
 2017-01-11

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008704