The 1:1 Antimony Trichloride Adduct of Chlorobis(2,6-dimethylpiperidin-1-yl)phosphine Oxide
Vijjulatha, M.; Kumara Swamy, K. C.; Huch, Volker; Veith, Michael; Acta Crystallographica Section C 53 (1997) 1789–1791; doi:10.1107/S0108270197009487

data_2006790
_publ_contact_author
;
      Dr K. C. Kumara Swamy
      School of Chemistry
      University of Hyderabad
      Hyderabad - 500046
      A.P.
      India
;
_publ_section_title
;
 The 1:1 Antimony Trichloride Adduct of
 Chlorobis(2,6-dimethylpiperidin-1-yl)phosphine Oxide
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1789
_journal_page_last               1791
_journal_paper_doi               10.1107/S0108270197009487
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[CC7 H14 N)2 P (Cl) O] , Sb Cl3'
_chemical_formula_moiety         'C14 H28 Cl4 N2 O P Sb'
_chemical_formula_sum            'C14 H28 Cl4 N2 O P Sb'
_chemical_formula_weight         534.9
_chemical_melting_point          420.1(10)
_chemical_name_systematic
;
Chloro-bis(2,6-dimethyl piperidino)phosphoramide trichloroantimonate
;
_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_type_scat_source           IntTabC
_cell_angle_alpha                70.53(8)
_cell_angle_beta                 71.81(8)
_cell_angle_gamma                61.85(7)
_cell_formula_units_Z            2
_cell_length_a                   10.092(11)
_cell_length_b                   10.514(11)
_cell_length_c                   12.415(14)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1076(2)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1988a)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1988b)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Siemens Stoe AED2 diffractometer'
_diffrn_measurement_method       \w--\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2820
_diffrn_reflns_reduction_process Redu4
_diffrn_reflns_theta_max         22.5
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.857
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         .966
_refine_diff_density_min         -1.289
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   '1.147 (on F^2^)'
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2820
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .0342
_refine_ls_R_factor_obs          .0322
_refine_ls_shift/esd_max         0.105
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_scheme
;1/[\s(F~o~^2^)+(0.0501P)^2^+1.4214P]
      where P=(F~o~^2^+2F~c~^2^)/3)
;
_refine_ls_wR_factor_all         .0867
_refine_ls_wR_factor_obs         .0853
_reflns_number_observed          2820
_reflns_number_total             2820
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            de1057.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '146-148\%C' was changed to
'420.1(10)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was
estimated.

'_atom_site_thermal_displace_type' tag value 'Uij' was
replaced with 'Uani' value 23 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '146-148\%C' was changed to
'420.1(10)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2006790