#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/29/2102962.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_2102962_Fobs
loop_
_publ_author_name
'Gajda, Roman'
'Katrusiak, Andrzej'
_publ_section_title
;
 Compressed hydrogen-bond effects in the pressure-frozen chloroacetic
 acid
;
_journal_coeditor_code           AV5090
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              896
_journal_page_last               902
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_data_source_file    av5090dichloroacetic_acid_4sup5.hkl
_[local]_cod_data_source_block   dichloroacetic_acid_4
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 7731.24 7318.55 62.19 o
4 0 0 1304.90 1397.13 12.86 o
1 1 0 715.74 700.11 14.79 o
2 1 0 158.40 146.14 6.71 o
3 1 0 1.80 2.73 0.65 o
4 1 0 29.15 27.52 2.49 o
5 1 0 9.53 6.58 2.97 o
2 2 0 39.77 39.89 1.35 o
3 2 0 3.85 3.77 1.15 o
4 2 0 7.15 4.81 2.38 o
-3 0 1 2.42 3.55 1.09 o
3 0 1 921.33 866.17 8.33 o
-5 1 1 1.44 1.76 4.38 o
-4 1 1 353.65 352.42 7.77 o
-3 1 1 90.85 90.86 2.04 o
-2 1 1 384.50 353.49 7.98 o
-1 1 1 51.81 49.28 2.30 o
0 1 1 10.36 7.59 0.75 o
1 1 1 3322.56 3402.28 62.93 o
2 1 1 0.34 1.29 0.57 o
3 1 1 179.20 179.35 5.71 o
4 1 1 57.90 53.91 5.36 o
-4 2 1 115.69 109.50 5.46 o
-3 2 1 194.17 201.79 4.68 o
-2 2 1 1280.64 1249.84 19.39 o
-1 2 1 3084.19 3107.91 25.17 o
0 2 1 203.05 209.07 1.89 o
1 2 1 1054.53 1040.34 8.51 o
2 2 1 48.93 57.07 1.90 o
3 2 1 40.26 27.79 2.48 o
-3 3 1 101.37 108.69 4.97 o
-2 3 1 40.34 34.20 2.63 o
-1 3 1 192.01 165.93 6.94 o
0 3 1 573.32 577.53 5.02 o
1 3 1 878.80 885.66 10.90 o
2 3 1 403.10 393.23 11.73 o
3 3 1 380.81 396.21 3.43 o
4 3 1 1.19 4.18 1.59 o
5 3 1 70.38 73.78 9.03 o
1 4 1 3449.60 3847.35 19.57 o
2 4 1 1703.08 1707.13 11.01 o
3 4 1 485.32 528.97 5.06 o
4 4 1 94.38 84.12 8.35 o
-3 1 2 65.59 63.01 2.58 o
-2 1 2 13.39 14.43 2.30 o
-4 2 2 0.54 3.64 1.75 o
-3 2 2 3386.82 3300.93 32.67 o
-2 2 2 48.27 48.66 1.26 o
-1 2 2 13101.15 13057.61 78.17 o
0 2 2 654.02 665.52 16.31 o
1 2 2 6963.44 7611.64 56.43 o
2 2 2 98.87 83.98 6.18 o
3 2 2 1443.77 1459.60 30.77 o
-5 3 2 37.88 31.91 5.83 o
-4 3 2 1.08 5.18 2.25 o
-3 3 2 97.73 97.31 2.89 o
-2 3 2 121.70 115.44 1.73 o
-1 3 2 148.76 139.53 5.51 o
0 3 2 536.94 545.84 11.90 o
1 3 2 33.89 43.48 6.72 o
2 3 2 9.77 8.40 1.09 o
3 3 2 194.25 190.59 4.28 o
4 3 2 3.24 2.97 2.86 o
-4 4 2 100.29 99.49 5.34 o
-3 4 2 87.40 94.24 3.80 o
-2 4 2 1359.58 1446.34 9.90 o
-1 4 2 4.16 4.32 0.65 o
0 4 2 898.29 960.78 10.07 o
1 4 2 615.67 609.87 8.77 o
2 4 2 139.86 129.36 8.04 o
3 4 2 162.93 144.08 27.52 o
4 4 2 12.63 7.91 3.10 o
-3 5 2 139.31 117.92 5.06 o
-2 5 2 6.71 9.06 1.85 o
-1 5 2 17.69 32.02 3.96 o
0 5 2 240.69 218.37 14.59 o
1 5 2 1.81 2.87 0.71 o
2 5 2 704.58 772.33 13.03 o
3 5 2 83.08 70.99 6.92 o
4 5 2 124.06 142.34 8.19 o
0 6 2 1776.51 1600.67 67.65 o
1 6 2 165.26 153.97 3.62 o
2 6 2 557.66 559.98 9.36 o
3 6 2 246.52 262.34 10.57 o
-3 3 3 12.43 10.60 2.57 o
-2 3 3 77.13 69.98 2.14 o
-1 3 3 53.43 56.66 3.86 o
-4 4 3 299.25 309.18 6.66 o
-3 4 3 60.88 60.02 3.33 o
-2 4 3 539.09 571.12 6.61 o
-1 4 3 411.62 443.43 8.58 o
0 4 3 611.73 627.92 23.60 o
1 4 3 129.15 115.86 7.11 o
2 4 3 246.53 232.60 5.08 o
-4 5 3 117.16 129.83 5.45 o
-3 5 3 80.33 77.79 3.01 o
-2 5 3 11.75 11.10 1.37 o
-1 5 3 273.24 287.46 5.95 o
0 5 3 610.38 610.01 8.36 o
1 5 3 150.24 142.73 3.02 o
2 5 3 4.26 3.47 1.56 o
3 5 3 4.44 3.91 2.03 o
-3 6 3 306.80 327.72 6.34 o
-2 6 3 737.26 714.57 11.79 o
-1 6 3 1676.46 1712.69 22.46 o
0 6 3 1176.14 1144.55 27.92 o
1 6 3 899.32 882.84 20.12 o
2 6 3 226.71 246.26 4.45 o
3 6 3 388.71 396.74 7.37 o
4 6 3 195.20 193.21 23.36 o
-2 7 3 13.59 14.15 6.25 o
-1 7 3 379.70 413.99 15.37 o
0 7 3 182.14 172.25 7.05 o
1 7 3 720.66 711.29 11.00 o
2 7 3 15.48 18.86 2.72 o
3 7 3 105.44 86.87 8.11 o
-2 5 4 17.67 12.04 4.74 o
-1 5 4 69.19 70.42 3.83 o
0 5 4 53.76 58.27 4.47 o
-3 6 4 749.25 753.29 11.14 o
-2 6 4 346.93 342.83 5.89 o
-1 6 4 98.62 103.79 3.38 o
0 6 4 578.27 565.80 9.54 o
1 6 4 285.77 284.34 7.31 o
2 6 4 182.74 179.61 7.81 o
-3 7 4 0.07 7.66 2.69 o
-2 7 4 5.09 4.34 1.93 o
-1 7 4 108.63 108.42 4.40 o
0 7 4 221.98 228.98 14.78 o
1 7 4 239.78 232.42 6.91 o
2 7 4 8.88 11.23 2.76 o
3 7 4 37.75 47.88 8.38 o
-2 8 4 4.49 4.07 2.27 o
-1 8 4 607.41 571.10 12.17 o
0 8 4 0.01 4.43 2.11 o
1 8 4 246.37 256.98 4.99 o
2 8 4 14.96 12.82 2.97 o
3 8 4 12.60 11.62 6.79 o
-2 8 5 486.54 482.03 17.18 o
-1 8 5 23.16 17.68 3.99 o
0 8 5 476.77 468.52 7.77 o
1 8 5 201.78 211.64 7.57 o
-2 9 5 161.30 143.91 10.24 o
-1 9 5 5.32 7.46 2.44 o
0 9 5 151.15 149.93 5.94 o
1 9 5 20.69 21.61 5.38 o