2,2,4,4,6,6-Tris(2,3-naphthylenedioxy)cyclotriphosphazene
Kubono, K.; Asaka, N.; Isoda, S.; Kobayashi, T.; Taga, T.; Acta Crystallographica Section C 50 (1994) 324–326; doi:10.1107/S0108270193007772

data_2009430
_publ_section_title
;
 2,2,4,4,6,6-Tris(2,3-naphthylenedioxy)cyclotriphosphazene
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              324
_journal_page_last               326
_journal_paper_doi               10.1107/S0108270193007772
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C30 H18 N3 O6 P3'
_chemical_formula_weight         609.41
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 95.250(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   32.265(6)
_cell_length_b                   5.8250(10)
_cell_length_c                   27.518(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      17.6
_cell_measurement_theta_min      9.7
_cell_volume                     5150.1(15)
_diffrn_measurement_device       'Rigaku AFC-5RU'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4401
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        4
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.597
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_meas      1.56
_exptl_crystal_density_method
'flotation in n-hexane--carbon tetrachloride mixture'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.212
_refine_diff_density_min         -0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   5.79
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     452
_refine_ls_number_reflns         2913
_refine_ls_R_factor_obs          0.0618
_refine_ls_shift/esd_max         0.69
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + (0.023F~o~)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0524
_reflns_number_observed          2913
_reflns_number_total             4299
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            as1057.cif
_cod_data_source_block           as1057_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~) +
(0.023F~o~)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F~o~) + (0.023F~o~)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5150(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2009430