<i>trans</i>-2,6-Dichloro-2,4,4,6-tetrakis[methyl(trimethylsilyl)amino]-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine
Voznicová, Radka; Taraba, Jan; Alberti, Milan; Příhoda, Jiři; Acta Crystallographica Section E 63 (2007) o592–o594; doi:10.1107/S1600536806055292

data_2212360
_publ_section_title
<i>trans</i>-2,6-Dichloro-2,4,4,6-tetrakis[methyl(trimethylsilyl)amino]-1,3,5,2\l^5^,4\l^5^,6\l^5^-triazatriphosphorine
_journal_coeditor_code           SG2112
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o592
_journal_page_last               o594
_journal_paper_doi               10.1107/S1600536806055292
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C16 H48 Cl2 N7 P3 Si4'
_chemical_formula_moiety         'C16 H48 Cl2 N7 P3 Si4'
_chemical_formula_sum            'C16 H48 Cl2 N7 P3 Si4'
_chemical_formula_weight         614.78
_chemical_name_common
tetrakis-trimethylsilyl-trans-2,6-dichloro-cyklotriphosphazene
_chemical_name_systematic
;
trans-2,6-Dichloro-2,4,4,6-tetrakis[methyl(trimethylsilyl)amino]-
1,3,5,2\l^5^,4\l^5^,6\l^5^-triazatriphosphorine
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.21(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.470(3)
_cell_length_b                   11.360(2)
_cell_length_c                   17.270(3)
_cell_measurement_reflns_used    1418
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      24.309
_cell_measurement_theta_min      5.840
_cell_volume                     3362.0(11)
_computing_cell_refinement       'KM-4 Software (Kuma Diffraction, date?)'
_computing_data_collection       'CRYSALIS CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'KUMA KM-4 software'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean '0.06 mm'
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Kuma KM-4 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13131
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         6.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.497
_exptl_absorpt_correction_T_max  0.9071
_exptl_absorpt_correction_T_min  0.8858
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.541
_refine_diff_density_min         -0.335
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2620
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.049P)^2^+7.9146P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.0974
_reflns_number_gt                2569
_reflns_number_total             2829
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sg2112.cif
_cod_data_source_block           I
_cod_original_cell_volume        3362.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2212360
_cod_database_fobs_code          2212360