#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:59:31 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180889 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/29/2102966.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_2102966_Fobs
loop_
_publ_author_name
'Podsiad\/lo, Marcin'
'Katrusiak, Andrzej'
_publ_section_title
;
 Isobaric and isochoric freezing of CH~2~BrCl and isostructural
 relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl
;
_journal_coeditor_code           AV5094
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              903
_journal_page_last               911
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cod_data_source_file            av5094cbm_1.04GPasup4.hkl
_cod_data_source_block           cbm_1.04GPa
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 5545.61 5131.32 80.12 o
4 0 0 24.40 27.63 7.64 o
1 1 0 2666.17 2414.62 21.28 o
3 1 0 838.62 808.65 10.49 o
5 1 0 105.31 84.93 10.49 o
0 2 0 1216.51 1184.86 18.52 o
2 2 0 714.42 708.66 9.42 o
4 2 0 26.41 20.26 5.61 o
1 3 0 1112.55 1108.75 18.32 o
3 3 0 2555.19 2679.96 31.43 o
5 3 0 148.38 114.85 15.70 o
0 4 0 6140.92 6028.62 215.60 o
2 4 0 2579.91 2592.90 36.40 o
4 4 0 25.63 27.27 7.70 o
1 5 0 149.61 149.24 6.05 o
3 5 0 19.78 20.16 4.83 o
0 6 0 3645.06 3829.42 50.83 o
2 6 0 595.42 617.06 10.30 o
4 6 0 2.33 7.08 7.56 o
1 7 0 242.44 233.57 8.40 o
3 7 0 325.58 327.31 17.18 o
0 8 0 79.34 66.94 16.76 o
2 8 0 56.09 45.65 11.94 o
1 9 0 59.29 51.86 9.55 o
3 9 0 100.11 85.96 14.97 o
0 10 0 355.53 330.40 21.27 o
2 10 0 108.75 68.48 30.38 o
1 11 0 1.83 13.00 18.54 o
1 1 1 1190.89 1270.24 13.74 o
2 1 1 1985.87 1923.33 32.89 o
3 1 1 943.51 998.51 30.95 o
4 1 1 436.36 443.85 11.02 o
5 1 1 66.70 58.47 8.15 o
0 2 1 11221.14 11652.07 294.30 o
1 2 1 9103.58 9051.73 116.14 o
2 2 1 1782.36 1790.61 28.83 o
3 2 1 436.28 432.68 8.41 o
4 2 1 7.93 10.80 4.09 o
5 2 1 3.97 7.48 7.20 o
1 3 1 66.65 64.50 1.87 o
2 3 1 58.10 57.55 1.83 o
3 3 1 17.76 23.26 3.22 o
4 3 1 32.32 26.84 5.81 o
5 3 1 12.17 17.26 4.88 o
0 4 1 1785.37 1742.94 39.96 o
1 4 1 1695.57 1641.16 22.55 o
2 4 1 502.47 489.64 5.45 o
3 4 1 25.48 22.56 3.17 o
4 4 1 16.81 20.19 4.56 o
5 4 1 15.76 21.37 6.64 o
1 5 1 213.28 217.04 3.35 o
2 5 1 851.98 869.18 9.23 o
3 5 1 633.86 652.53 13.63 o
4 5 1 265.79 253.88 12.70 o
5 5 1 41.08 28.70 12.44 o
0 6 1 345.08 343.09 6.99 o
1 6 1 572.23 580.10 10.46 o
2 6 1 336.45 341.30 6.95 o
3 6 1 114.47 105.81 6.06 o
4 6 1 9.81 17.14 5.20 o
1 7 1 116.89 115.30 5.10 o
2 7 1 114.49 114.48 6.75 o
3 7 1 33.88 34.87 5.05 o
4 7 1 20.50 22.59 6.71 o
0 8 1 746.76 773.42 17.92 o
1 8 1 530.12 563.72 9.00 o
2 8 1 89.98 83.23 7.76 o
3 8 1 27.48 29.03 6.66 o
4 8 1 0.54 19.33 24.13 o
1 9 1 36.62 34.28 6.29 o
2 9 1 31.47 27.03 6.01 o
3 9 1 12.27 18.27 8.15 o
0 10 1 1.05 1.49 8.76 o
1 10 1 0.75 1.27 10.13 o
2 10 1 1.60 3.48 13.19 o
1 11 1 1.17 14.02 25.71 o
2 0 2 366.82 364.70 12.14 o
3 0 2 740.37 799.31 16.12 o
4 0 2 0.55 8.17 7.46 o
5 0 2 20.19 24.45 9.16 o
2 1 2 1288.47 1346.82 14.69 o
3 1 2 41.20 40.50 2.86 o
4 1 2 344.59 361.04 12.79 o
5 1 2 0.25 6.24 10.94 o
1 2 2 1657.40 1699.72 27.69 o
2 2 2 12.09 14.12 2.08 o
3 2 2 9.31 14.56 3.26 o
4 2 2 3.19 8.01 4.58 o
5 2 2 14.92 20.20 5.82 o
1 3 2 175.88 166.33 6.41 o
2 3 2 3025.13 3105.69 41.40 o
3 3 2 4.85 8.50 2.96 o
4 3 2 730.69 774.07 11.95 o
5 3 2 6.57 13.36 9.04 o
0 4 2 381.42 366.86 13.06 o
1 4 2 4716.56 4916.10 57.75 o
2 4 2 9.33 10.38 1.95 o
3 4 2 400.42 406.13 10.18 o
4 4 2 9.25 14.10 5.64 o
1 5 2 15.61 16.98 2.14 o
2 5 2 80.33 79.79 4.78 o
3 5 2 5.02 10.53 5.03 o
4 5 2 3.77 13.17 7.47 o
0 6 2 11.10 9.40 3.60 o
1 6 2 1996.67 2157.99 35.39 o
2 6 2 32.66 26.89 4.30 o
3 6 2 51.70 45.98 5.83 o
4 6 2 0.13 6.26 6.64 o
1 7 2 0.08 1.50 5.62 o
2 7 2 375.48 381.49 12.00 o
3 7 2 9.44 16.89 6.31 o
4 7 2 152.81 99.24 24.74 o
0 8 2 0.71 3.65 13.13 o
1 8 2 59.79 55.97 6.97 o
2 8 2 4.70 11.86 6.91 o
3 8 2 46.80 45.60 8.04 o
4 8 2 0.20 21.90 24.69 o
1 9 2 1.09 8.30 6.47 o
2 9 2 116.50 102.11 10.84 o
3 9 2 0.67 3.93 14.97 o
0 10 2 4.67 11.37 10.13 o
1 10 2 231.47 221.15 13.74 o
3 1 3 1223.33 1230.88 29.96 o
4 1 3 203.06 187.35 12.87 o
5 1 3 89.19 72.15 19.70 o
2 2 3 2939.40 3050.44 196.13 o
3 2 3 115.85 116.85 8.96 o
4 2 3 15.86 12.20 6.46 o
5 2 3 7.77 15.53 11.47 o
2 3 3 27.34 19.36 6.42 o
3 3 3 79.44 80.86 7.19 o
4 3 3 14.95 16.25 7.19 o
5 3 3 10.77 22.42 12.81 o
1 4 3 732.32 640.15 25.54 o
2 4 3 328.32 321.11 10.80 o
3 4 3 4.39 6.96 3.71 o
4 4 3 2.28 7.39 8.10 o
5 4 3 10.90 47.92 24.44 o
1 5 3 553.63 553.35 15.33 o
2 5 3 421.59 402.03 15.65 o
3 5 3 540.16 523.90 31.47 o
4 5 3 120.51 103.57 17.40 o
0 6 3 929.44 1000.30 41.72 o
1 6 3 201.07 193.54 16.12 o
2 6 3 226.51 216.01 12.02 o
3 6 3 39.01 29.87 9.23 o
4 6 3 40.41 34.88 14.83 o
1 7 3 16.79 18.49 7.62 o
2 7 3 63.46 47.36 10.05 o
3 7 3 103.05 91.37 27.20 o
4 7 3 10.41 11.12 21.52 o
0 8 3 545.24 565.04 44.13 o
1 8 3 235.30 219.83 18.62 o
2 8 3 268.08 282.79 20.71 o
3 8 3 9.13 10.93 17.45 o
1 9 3 0.94 11.92 12.45 o
2 9 3 13.78 16.53 12.99 o
3 9 3 48.34 46.21 24.29 o
0 10 3 14.51 15.44 18.09 o
1 10 3 0.79 15.32 21.91 o