#------------------------------------------------------------------------------
#$Date: 2016-12-06 16:28:16 +0200 (Tue, 06 Dec 2016) $
#$Revision: 188978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/91/1519161.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1519161
loop_
_publ_author_name
'Janczak, Jan'
'Kubiak, Ryszard'
_publ_section_title
;
 Tris(2-cyanophenyl)-1,3,5-triazine: a By-product of Metallophthalocyanine
 Synthesis
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              602
_journal_page_last               610
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C24 H12 N6'
_chemical_formula_weight         384.40
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                99.70(3)
_cell_angle_beta                 112.31(3)
_cell_angle_gamma                115.53(3)
_cell_formula_units_Z            3
_cell_length_a                   11.276(2)
_cell_length_b                   12.833(3)
_cell_length_c                   12.915(3)
_cell_volume                     1431.4(10)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.086
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_meas      1.34
_exptl_crystal_F_000             594
_refine_ls_number_reflns         3777
_refine_ls_R_factor_gt           0.0563
_refine_ls_wR_factor_gt          0.1043
_cod_data_source_file            Acta-Chem-Scand-1999-53-602-610-2.cif
_cod_data_source_block           form-2
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_cell_volume        1431.4(5)
_cod_database_code               1519161
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
? ? ? ? ? ? ?
