<i>N</i>-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-<i>P</i>,<i>P</i>,<i>P</i>-tris(2,4,6-trimethylphenoxy)phosphazene
Hökelek, Tuncer; Akduran, Nurcan; Begeç, Saliha; Kılıç, Adem; Kılıç, Zeynel; Acta Crystallographica Section C 56 (2000) 1404–1406; doi:10.1107/S010827010001177X

data_2011515
_publ_section_title
<i>N</i>-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-<i>P</i>,<i>P</i>,<i>P</i>-tris(2,4,6-trimethylphenoxy)phosphazene
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1404
_journal_page_last               1406
_journal_paper_doi               10.1107/S010827010001177X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C45 H55 N1 O6 P2'
_chemical_formula_sum            'C45 H55 N O6 P2'
_chemical_formula_weight         767.89
_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           IntTabIV
_cell_angle_alpha                91.750(10)
_cell_angle_beta                 92.180(10)
_cell_angle_gamma                90.550(10)
_cell_formula_units_Z            2
_cell_length_a                   11.7040(10)
_cell_length_b                   11.751(2)
_cell_length_c                   15.640(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      42
_cell_measurement_theta_min      19
_cell_volume                     2148.3(5)
_computing_cell_refinement       MolEN
_computing_data_collection       'MolEN (Fair, 1990)'
_computing_data_reduction        MolEN
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_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  .0603
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            9238
_diffrn_reflns_theta_max         74.35
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.29
_exptl_absorpt_correction_T_max  .774
_exptl_absorpt_correction_T_min  .646
_exptl_absorpt_correction_type   '\y scans'
_exptl_absorpt_process_details   'MolEN (Fair, 1990)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_method    none
_exptl_crystal_description       block-like
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .20
_refine_diff_density_max         .48
_refine_diff_density_min         -.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     502
_refine_ls_number_reflns         8754
_refine_ls_R_factor_gt           .0683
_refine_ls_shift/su_max          .04
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0938P)^2^ + 1.2262P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1993
_reflns_number_gt                5311
_reflns_number_total             8754
_reflns_threshold_expression     F>4.0\s(F)
_cod_data_source_file            gg1021.cif
_cod_data_source_block           II
_cod_original_formula_sum        'C45 H55 N1 O6 P2'
_cod_database_code               2011515
_cod_database_fobs_code          2011515