2-(2,6-Di-<i>tert</i>-butylphenoxy)-2',4,4,4',4',6,6,6',6'-nonachloro-2,2'-bi(cyclotri-λ^5^-phosphazene)
Hökelek, T.; Kiliç, Z.; Kiliç, A.; Acta Crystallographica Section C 50 (1994) 453–456; doi:10.1107/S0108270193008443

data_2009507
_publ_section_title
2-(2,6-Di-<i>tert</i>-butylphenoxy)-2',4,4,4',4',6,6,6',6'-nonachloro-2,2'-bi(cyclotri-\l^5^-phosphazene)
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              453
_journal_page_last               456
_journal_paper_doi               10.1107/S0108270193008443
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H21 Cl9 N6 O P6'
_chemical_formula_weight         794.28
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                92.20(2)
_cell_angle_beta                 118.15(2)
_cell_angle_gamma                93.85(3)
_cell_formula_units_Z            2
_cell_length_a                   11.933(2)
_cell_length_b                   16.400(3)
_cell_length_c                   9.471(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      30
_cell_measurement_theta_min      9
_cell_volume                     1625.4(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  'not calculated'
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7296
_diffrn_reflns_theta_max         75
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.36
_exptl_absorpt_correction_T_max  0.286
_exptl_absorpt_correction_T_min  0.075
_exptl_absorpt_correction_type
'semi-empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_description       rod
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.96
_refine_ls_goodness_of_fit_obs   'not calculated'
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         3773
_refine_ls_R_factor_obs          0.061
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
; Weighting scheme: Chebychev (Watkin, Carruthers &
Betteridge, 1985)
;
_refine_ls_wR_factor_obs         0.069
_reflns_number_observed          4292
_reflns_number_total             6322
_reflns_observed_criterion       F>=3\s(F)
_cod_data_source_file            ab1081.cif
_cod_data_source_block           ab1081_structure_1_of_1
_cod_original_formula_sum        'C14 H21 Cl9 N6 O1 P6'
_cod_database_code               2009507