#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:24:28 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181017 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/97/2209726.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2209726_Fobs
loop_
_publ_author_name
'Wang, Peng-Fei'
'Liu, Guang-Xiang'
'Chen, You-Cun'
_publ_section_title
;
 An ion-pair complex composed of two
 <i>N</i>-(4-cyanobenzyl)quinolinium cations, two
 7,7,8,8-tetracyanoquinodimethane anions and one neutral
 7,7,8,8-tetracyanoquinodimethane molecule
;
_journal_coeditor_code           AT2050
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3256
_journal_page_last               o3258
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 114.327
_cell_angle_gamma                90.000
_cell_length_a                   16.0829
_cell_length_b                   10.8627
_cell_length_c                   17.0989
_exptl_crystal_F_000             1140.00
_reflns_d_resolution_high        0.8107
_cod_data_source_file            at2050Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' aa in P2(1)/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            295.67
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 11269.52 12028.77 1655.67 o
3 0 0 3068.69 3391.48 282.26 o
4 0 0 3610.91 4204.22 350.39 o
5 0 0 5363.27 6303.14 522.82 o
6 0 0 330.48 312.99 26.65 o
7 0 0 2767.09 3097.23 427.14 o
8 0 0 2820.24 3347.23 461.69 o
9 0 0 741.87 699.33 97.53 o
10 0 0 95.80 90.96 18.11 o
11 0 0 1.80 8.56 3.61 o
12 0 0 4.85 7.82 4.14 o
13 0 0 1099.67 1072.38 149.66 o
14 0 0 5171.30 5193.20 716.91 o
15 0 0 551.64 551.80 78.54 o
16 0 0 15.33 30.61 7.95 o
17 0 0 22.81 27.94 8.29 o
18 0 0 23.26 38.17 9.43 o
1 1 0 16.34 19.39 1.64 o
2 1 0 4.82 9.02 1.07 o
3 1 0 49.42 52.68 4.14 o
4 1 0 563.66 577.79 40.84 o
5 1 0 692.91 651.98 39.22 o