#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2102967.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_2102967_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'
_[local]_cod_data_source_file    av5094cbm_1.72GPasup5.hkl
_[local]_cod_data_source_block   cbm_1.72GPa
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
0 2 0 1040.47 1109.78 11.04 o
1 3 0 939.99 943.51 16.30 o
0 4 0 7437.19 7741.64 95.20 o
2 4 0 3624.94 3792.00 80.90 o
1 5 0 104.03 107.23 2.61 o
0 6 0 4487.00 4885.36 23.21 o
2 6 0 951.09 957.57 17.41 o
1 7 0 375.62 322.10 30.03 o
0 8 0 245.16 224.66 16.02 o
2 8 0 101.59 108.44 8.31 o
1 9 0 60.29 51.08 6.31 o
1 1 1 961.22 1058.62 6.29 o
0 2 1 11236.99 10824.27 295.64 o
1 2 1 10128.67 9535.08 98.19 o
1 3 1 74.20 73.95 1.73 o
2 3 1 111.75 115.06 6.79 o
0 4 1 1924.56 1916.01 32.30 o
1 4 1 1890.21 1809.48 25.20 o
2 4 1 682.68 698.04 27.91 o
1 5 1 259.06 251.55 2.86 o
2 5 1 1063.80 1059.98 30.00 o
0 6 1 647.76 651.60 16.12 o
1 6 1 920.49 943.09 10.74 o
2 6 1 486.88 491.32 6.39 o
1 7 1 92.91 92.37 3.23 o
2 7 1 111.76 110.70 5.66 o
0 8 1 1052.86 1047.81 23.76 o
1 8 1 879.61 928.11 19.73 o
2 8 1 205.62 204.87 6.04 o
1 9 1 53.99 58.64 4.79 o
2 9 1 76.67 69.85 6.46 o
1 10 1 0.11 2.38 8.42 o
2 10 1 0.43 11.80 5.90 o
1 0 2 21091.78 21258.12 466.47 o
1 1 2 162.86 147.67 4.99 o
0 2 2 598.66 570.98 4.07 o
1 2 2 1682.19 1644.33 25.65 o
2 2 2 15.24 18.90 2.97 o
1 3 2 217.07 226.83 5.75 o
2 3 2 3161.19 3287.60 52.62 o
0 4 2 492.32 494.98 19.01 o
1 4 2 6022.17 6026.87 83.12 o
2 4 2 12.95 15.45 1.83 o
1 5 2 23.67 18.65 1.42 o
2 5 2 36.98 28.26 3.35 o
0 6 2 18.51 22.64 3.83 o
1 6 2 2683.16 2671.17 48.42 o
2 6 2 61.94 61.36 3.60 o
1 7 2 0.34 6.13 2.30 o
2 7 2 620.57 625.39 18.17 o
3 7 2 27.30 20.87 6.21 o
1 8 2 162.76 156.44 8.65 o
2 8 2 15.08 6.67 5.09 o
3 8 2 78.22 49.85 12.92 o
1 9 2 4.51 7.05 3.09 o
2 9 2 169.93 172.98 7.33 o
1 10 2 509.62 531.46 13.43 o
2 10 2 3.28 10.95 8.97 o
1 1 3 921.41 957.98 13.12 o
2 1 3 919.62 975.04 28.79 o
0 2 3 12826.67 12527.35 186.79 o
1 2 3 3843.10 3755.60 70.53 o
2 2 3 3988.08 4075.16 89.66 o
1 3 3 19.11 20.91 2.09 o
2 3 3 49.18 51.69 2.60 o
0 4 3 2919.51 2840.07 74.33 o
1 4 3 800.61 762.08 11.77 o
2 4 3 559.49 548.94 9.82 o
1 5 3 622.10 604.83 11.78 o
2 5 3 495.78 489.89 10.19 o
0 6 3 1437.19 1461.07 14.55 o
1 6 3 335.46 328.98 5.34 o
2 6 3 439.77 443.05 5.74 o
3 6 3 64.84 65.03 7.06 o
1 7 3 19.07 16.13 2.80 o
2 7 3 63.64 67.11 4.58 o
3 7 3 132.05 122.12 15.50 o
0 8 3 1030.86 1114.85 18.28 o
1 8 3 392.78 386.92 7.83 o
2 8 3 516.80 546.28 24.09 o
3 8 3 30.19 27.29 9.82 o
1 9 3 10.48 14.54 4.08 o
2 9 3 34.63 21.10 4.43 o
0 10 3 5.20 16.24 9.39 o
1 10 3 0.12 4.59 5.40 o
2 10 3 12.89 16.43 15.79 o
0 0 4 14800.89 14680.45 248.13 o
1 0 4 1367.16 1293.96 20.45 o
2 0 4 5915.71 6320.07 102.73 o
1 1 4 143.96 139.22 2.10 o
2 1 4 93.07 96.11 6.72 o
0 2 4 2443.52 2481.63 43.70 o
1 2 4 47.82 44.38 1.82 o
2 2 4 161.85 154.15 3.65 o
1 3 4 1572.07 1559.78 22.00 o
2 3 4 130.27 130.95 3.53 o
0 4 4 6343.91 6205.64 147.56 o
1 4 4 418.39 399.12 7.36 o
2 4 4 1565.96 1576.22 23.41 o
3 4 4 76.63 69.24 11.13 o
1 5 4 0.24 4.65 1.41 o
2 5 4 0.27 5.00 2.39 o
3 5 4 44.18 39.07 8.35 o
0 6 4 2326.78 2378.56 35.76 o
1 6 4 149.35 158.66 3.86 o
2 6 4 947.19 964.17 25.11 o
3 6 4 15.97 19.04 5.40 o
1 7 4 134.84 120.53 4.88 o
2 7 4 33.15 33.01 4.37 o
3 7 4 538.59 561.12 15.89 o
0 8 4 89.47 65.10 6.54 o
1 8 4 19.52 17.50 3.90 o
2 8 4 121.75 126.87 12.26 o
3 8 4 8.64 11.08 8.40 o
1 9 4 76.22 71.29 6.75 o
2 9 4 7.16 9.49 4.53 o
0 10 4 526.22 518.22 35.57 o
1 10 4 36.69 20.34 6.87 o
1 1 5 173.33 166.25 2.42 o
2 1 5 1484.60 1470.62 27.73 o
0 2 5 1701.93 1756.18 31.75 o
1 2 5 6788.51 6717.63 66.28 o
2 2 5 570.32 557.84 7.25 o
1 3 5 0.23 3.55 1.01 o
2 3 5 79.50 83.28 4.22 o
3 3 5 27.22 23.99 5.98 o
0 4 5 641.68 613.14 15.83 o
1 4 5 1600.70 1629.06 16.77 o
2 4 5 84.46 83.92 5.50 o
3 4 5 90.75 80.94 8.13 o
1 5 5 167.39 158.98 3.32 o
2 5 5 962.74 1002.64 18.19 o
3 5 5 173.14 165.56 10.79 o
0 6 5 229.41 231.52 7.53 o
1 6 5 882.08 890.15 14.31 o
2 6 5 34.70 35.86 4.23 o
3 6 5 192.00 199.25 10.26 o
1 7 5 2.49 6.32 2.45 o
2 7 5 98.86 100.64 5.74 o
3 7 5 48.81 44.09 7.57 o
0 8 5 166.15 153.54 7.62 o
1 8 5 824.39 829.23 35.80 o
2 8 5 104.55 119.33 12.68 o
1 9 5 0.32 8.53 4.17 o
2 9 5 73.74 82.23 22.31 o
0 10 5 7.64 19.27 14.96 o
1 10 5 0.35 20.16 11.93 o
0 0 6 2600.65 2671.30 36.90 o
1 0 6 6935.17 6908.40 143.49 o
2 0 6 492.69 485.55 9.23 o
1 1 6 157.01 154.03 2.25 o
2 1 6 644.56 630.83 13.80 o
0 2 6 24.43 22.63 1.83 o
1 2 6 517.98 516.43 4.73 o
2 2 6 109.50 110.03 3.25 o
3 2 6 24.44 14.59 4.97 o
1 3 6 19.92 16.71 2.15 o
2 3 6 1357.01 1428.13 27.12 o
3 3 6 290.38 271.34 8.88 o
0 4 6 519.74 465.67 27.42 o
1 4 6 2341.70 2369.50 34.81 o
2 4 6 450.73 438.21 11.89 o
3 4 6 304.57 298.38 13.62 o
1 5 6 15.00 13.99 2.00 o
2 5 6 22.45 21.04 4.49 o
3 5 6 3.02 8.03 3.30 o
0 6 6 391.19 393.75 13.81 o
1 6 6 1218.27 1215.69 21.00 o
2 6 6 67.73 80.66 11.67 o
3 6 6 74.65 67.11 6.55 o
1 7 6 39.43 35.49 3.79 o
2 7 6 301.32 299.88 10.63 o
3 7 6 40.61 36.56 6.75 o
0 8 6 50.53 56.35 5.75 o
1 8 6 65.54 51.93 9.22 o
2 8 6 13.60 11.43 5.61 o
1 9 6 1.67 7.05 5.31 o
1 1 7 468.46 456.46 10.05 o
2 1 7 138.15 136.80 3.46 o
3 1 7 927.04 982.92 18.82 o
0 2 7 5937.15 6397.54 25.97 o
1 2 7 306.70 306.92 5.57 o
2 2 7 1976.29 2034.57 20.20 o
3 2 7 11.02 7.76 4.65 o
1 3 7 40.85 37.30 2.65 o
2 3 7 2.80 8.38 2.24 o
3 3 7 54.77 55.64 7.52 o
0 4 7 1253.34 1224.47 37.76 o
1 4 7 127.21 130.26 11.34 o
2 4 7 475.06 471.94 7.42 o
3 4 7 2.17 7.30 3.99 o
1 5 7 215.67 222.20 6.59 o
2 5 7 91.38 90.46 6.48 o
3 5 7 725.29 710.30 27.59 o
0 6 7 615.99 626.99 20.71 o
1 6 7 26.07 23.08 3.14 o
2 6 7 420.51 417.79 9.29 o
3 6 7 3.13 10.99 4.99 o
1 7 7 59.92 52.43 6.12 o
2 7 7 15.90 14.86 4.73 o
3 7 7 44.04 26.01 7.72 o
0 8 7 882.69 953.45 14.39 o
1 8 7 52.78 50.02 7.28 o
2 8 7 226.34 210.54 13.58 o
1 0 8 1326.44 1414.77 15.39 o
2 0 8 1073.29 1051.56 23.72 o
1 1 8 231.51 236.54 5.99 o
2 1 8 86.39 113.63 16.86 o
3 1 8 209.49 204.78 11.09 o
0 2 8 246.04 219.17 10.78 o
1 2 8 96.05 79.13 4.30 o
2 2 8 167.03 153.64 5.39 o
3 2 8 6.67 12.83 6.21 o
1 3 8 209.67 216.32 4.68 o
2 3 8 212.45 206.30 5.52 o
3 3 8 784.74 796.88 17.10 o
0 4 8 1220.01 1197.49 35.27 o
1 4 8 584.24 623.19 14.86 o
2 4 8 651.15 699.46 14.03 o
3 4 8 112.04 111.04 7.39 o
1 5 8 24.78 21.53 3.14 o
2 5 8 0.68 6.85 3.61 o
3 5 8 2.27 12.00 5.47 o
0 6 8 965.28 978.23 23.80 o
1 6 8 235.57 321.47 47.11 o
2 6 8 202.24 191.54 8.48 o
3 6 8 28.35 33.57 9.05 o
1 7 8 91.71 75.38 6.60 o
2 7 8 52.46 44.82 11.23 o
0 8 8 45.86 32.63 6.11 o
1 8 8 30.11 12.49 6.73 o
1 1 9 20.49 16.01 2.84 o
2 1 9 597.71 605.16 8.07 o
3 1 9 24.60 22.23 6.45 o
0 2 9 66.43 65.67 7.58 o
1 2 9 2488.35 2511.48 97.71 o
2 2 9 2.95 8.59 2.82 o
3 2 9 306.54 316.34 11.04 o
1 3 9 2.51 6.38 3.15 o
2 3 9 34.87 31.60 3.88 o
3 3 9 0.03 5.76 6.48 o
0 4 9 18.78 17.52 4.91 o
1 4 9 604.73 600.53 12.65 o
2 4 9 10.17 10.24 3.16 o
3 4 9 36.83 23.36 8.19 o
1 5 9 3.20 8.90 3.06 o
2 5 9 408.13 439.08 9.54 o
3 5 9 24.93 20.30 8.83 o
0 6 9 0.40 7.96 4.07 o
1 6 9 355.34 387.22 19.02 o
2 6 9 1.64 1.39 9.02 o
1 7 9 8.65 7.39 7.75 o
2 7 9 48.43 41.94 16.73 o
0 8 9 23.04 42.51 18.80 o
1 0 10 1186.74 1286.95 31.81 o
2 0 10 627.69 661.92 14.17 o
3 0 10 95.52 110.30 9.71 o
1 1 10 7.97 9.62 2.92 o
2 1 10 129.33 114.80 4.85 o
3 1 10 109.47 99.67 9.20 o
1 2 10 117.38 98.37 6.14 o
2 2 10 11.08 12.78 3.40 o
3 2 10 3.01 9.42 4.37 o
1 3 10 99.92 83.26 6.69 o
2 3 10 335.30 350.21 8.08 o
3 3 10 131.30 121.38 10.36 o
0 4 10 608.21 580.95 18.64 o
1 4 10 449.21 420.36 43.10 o
2 4 10 195.46 190.62 7.67 o
1 5 10 0.67 10.68 5.28 o
2 5 10 7.04 10.74 6.74 o
0 6 10 192.98 185.31 17.36 o
1 6 10 271.08 274.49 18.07 o
2 6 10 109.66 85.00 21.33 o
1 7 10 8.56 13.58 14.94 o
1 1 11 117.76 101.69 6.72 o
2 1 11 4.63 9.16 3.47 o
3 1 11 302.96 285.94 27.85 o
1 2 11 1.54 8.67 6.61 o
2 2 11 587.39 582.01 12.67 o
1 3 11 2.89 13.57 6.00 o
2 3 11 0.04 4.08 5.60 o
0 4 11 443.73 478.80 31.86 o
1 4 11 0.78 5.80 5.23 o
2 4 11 107.55 103.72 9.37 o
1 5 11 103.37 106.15 24.32 o
0 6 11 236.97 294.78 28.51 o
1 0 12 588.01 654.06 30.26 o
2 0 12 191.80 193.41 23.42 o
1 1 12 9.41 9.53 8.71 o
2 1 12 44.21 45.03 8.35 o
1 2 12 39.82 35.65 11.31 o
2 2 12 5.40 12.07 5.08 o
1 3 12 75.73 52.55 21.98 o
1 4 12 253.90 247.29 24.43 o