#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/97/2219790.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_2219790_Fobs
loop_
_publ_author_name
'Sonnauer, Andreas'
'Stock, Norbert'
_publ_section_title
;
 Poly[[aquatri-\m~3~-hydroxido-(\m~4~-2-phosphonatoethanesulfonato)dierbium(III)]
 monohydrate]
;
_journal_coeditor_code           BT2804
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1433
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.543
_cell_angle_beta                 101.713
_cell_angle_gamma                101.885
_cell_length_a                   5.8621
_cell_length_b                   9.0443
_cell_length_c                   11.6240
_exptl_crystal_F_000             542.00
_reflns_d_resolution_high        0.7558
_[local]_cod_data_source_file    bt2804Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' I         P -1         R = 0.03'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            264.05
_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, -z'
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
1 0 0 1677.67 1256.07 177.59 o
2 0 0 34413.92 32296.79 385.71 o
3 0 0 274.71 328.80 81.07 o
4 0 0 13249.23 13819.85 219.35 o
5 0 0 53.25 151.42 130.25 o
6 0 0 1648.05 1915.44 132.74 o
7 0 0 21.15 -37.51 157.67 o
-7 1 0 2435.96 2343.88 153.66 o
-6 1 0 16809.66 16890.63 219.82 o
-5 1 0 3674.83 3669.55 152.59 o
-4 1 0 21376.63 22531.36 269.86 o
-3 1 0 4657.70 4518.18 168.31 o
-2 1 0 5642.35 4951.18 208.35 o
-1 1 0 6325.56 4903.23 185.45 o
0 1 0 1227.60 1532.76 148.25 o
1 1 0 6871.92 6187.57 125.33 o
2 1 0 218.93 258.50 113.47 o
3 1 0 1273.87 1285.62 119.08 o
4 1 0 1928.23 2145.35 142.06 o
5 1 0 830.02 809.27 101.79 o
6 1 0 6435.86 7018.99 203.85 o
7 1 0 1812.02 1540.55 234.35 o
-7 2 0 1895.61 1795.14 191.53 o
-6 2 0 4.21 35.88 120.79 o
-5 2 0 1669.54 1681.09 131.35 o
-4 2 0 110.67 119.93 113.30 o
-3 2 0 3359.81 2978.53 162.53 o
-2 2 0 146.73 171.60 72.97 o
-1 2 0 28073.80 25271.73 252.63 o
0 2 0 7347.96 6033.96 207.99 o
1 2 0 20544.51 17926.79 178.81 o
2 2 0 10185.22 9614.13 188.63 o
3 2 0 23460.61 24210.33 238.78 o
4 2 0 1449.04 1538.26 142.05 o
5 2 0 22111.02 23302.99 245.60 o
6 2 0 3179.23 3185.47 149.27 o
-7 3 0 8421.59 7705.26 247.94 o
-6 3 0 696.82 632.11 133.98 o
-5 3 0 22141.75 23329.00 306.05 o
-4 3 0 235.16 228.07 121.21 o
-3 3 0 43064.84 43796.61 335.64 o
-2 3 0 436.80 559.43 68.70 o
-1 3 0 53953.78 53423.34 2266.81 o
0 3 0 9.54 25.11 56.07 o
1 3 0 48093.03 48660.80 220.11 o
2 3 0 545.38 532.56 80.42 o
3 3 0 1495.02 1497.20 140.03 o
4 3 0 117.88 74.33 91.37 o
5 3 0 192.22 214.00 95.76 o
6 3 0 1.06 113.96 127.36 o
-7 4 0 5412.02 5109.76 282.56 o
-6 4 0 3940.19 4199.04 184.79 o
-5 4 0 7782.79 8301.35 237.59 o
-4 4 0 1463.48 1548.31 98.51 o
-3 4 0 2156.60 2082.86 86.00 o
-2 4 0 487.87 409.52 63.75 o
-1 4 0 811.49 656.53 58.15 o
0 4 0 399.55 321.14 52.30 o
1 4 0 5231.09 4894.62 70.86 o
2 4 0 846.34 796.87 135.51 o
3 4 0 2942.81 3203.37 148.33 o
4 4 0 7892.83 7882.35 145.60 o
5 4 0 5792.38 6342.29 200.61 o
6 4 0 4561.92 4680.25 249.12 o
-7 5 0 9.44 80.65 260.42 o
-6 5 0 261.13 268.82 243.96 o
-5 5 0 610.53 551.54 100.49 o
-4 5 0 7576.06 8153.88 141.74 o
-3 5 0 769.43 805.28 78.43 o
-2 5 0 31680.52 32231.85 203.19 o
-1 5 0 1161.34 1104.88 57.50 o
0 5 0 39050.50 36278.00 1279.92 o
1 5 0 3429.72 3290.23 155.77 o
2 5 0 23773.91 25519.19 253.99 o
3 5 0 4051.79 3945.55 118.84 o
4 5 0 8595.09 8497.46 151.81 o
5 5 0 786.99 565.25 180.86 o
-5 6 0 188.45 212.02 53.49 o
-4 6 0 23485.19 26403.93 210.30 o
-3 6 0 10.55 21.16 67.81 o
-2 6 0 6794.92 6493.80 384.35 o
-1 6 0 147.77 51.93 136.59 o
0 6 0 4463.19 4561.80 176.15 o
1 6 0 212.20 230.44 92.77 o
2 6 0 229.46 67.78 131.40 o
3 6 0 4.36 -60.86 88.79 o
4 6 0 2091.74 2401.04 185.44 o
5 6 0 16.65 -20.10 221.29 o
-6 7 0 249.40 179.30 98.09 o
-5 7 0 324.55 320.33 73.29 o
-4 7 0 163.31 168.85 69.21 o
-3 7 0 601.91 642.22 53.77 o
-2 7 0 2148.87 2229.11 271.91 o
-1 7 0 2707.17 2450.06 161.31 o
0 7 0 3659.62 3694.88 132.11 o
1 7 0 5858.05 6276.35 174.53 o
2 7 0 8671.71 8852.05 180.25 o
3 7 0 7641.75 8366.75 202.55 o
4 7 0 3329.62 3042.35 148.07 o
-6 8 0 270.38 258.10 71.16 o
-5 8 0 9604.94 9745.14 145.71 o
-4 8 0 699.46 734.21 72.01 o
-3 8 0 20880.70 23096.08 158.63 o
-2 8 0 500.64 575.62 204.01 o
-1 8 0 27150.94 28284.62 331.50 o
0 8 0 653.71 706.57 135.43 o
1 8 0 12270.78 12600.02 186.17 o
2 8 0 1568.27 1432.61 178.64 o
3 8 0 2147.79 1934.80 189.08 o
-6 9 0 485.07 503.42 85.05 o
-5 9 0 5431.30 5616.85 124.36 o
-4 9 0 165.08 187.82 62.13 o
-3 9 0 1764.12 1974.99 69.51 o
-2 9 0 230.03 210.32 197.36 o
-1 9 0 543.39 510.96 141.29 o
0 9 0 137.41 246.50 166.46 o
1 9 0 985.65 942.05 174.95 o
2 9 0 86.74 262.94 126.30 o
-5 10 0 900.17 791.60 113.75 o
-4 10 0 2763.05 2918.37 103.93 o
-3 10 0 859.32 881.43 65.24 o
-2 10 0 7414.22 7282.70 338.91 o
-1 10 0 4554.98 4368.27 216.63 o
0 10 0 8590.53 8818.61 233.54 o
1 10 0 4337.30 4638.34 204.70 o
-4 11 0 10597.90 10361.85 138.02 o
-3 11 0 136.59 88.81 76.91 o
-2 11 0 8098.58 7551.79 408.82 o
-1 11 0 228.06 178.87 245.26 o
0 11 0 3201.04 3511.55 249.73 o
0 -11 1 1862.14 1689.82 241.33 o
1 -11 1 26.77 51.97 190.48 o
2 -11 1 7309.18 7186.97 361.68 o
3 -11 1 1045.55 1199.34 113.64 o
4 -11 1 8901.49 9030.63 153.10 o
-2 -10 1 10842.04 10353.35 283.83 o
-1 -10 1 551.88 404.85 181.94 o
0 -10 1 15314.10 14807.20 262.63 o
1 -10 1 1073.52 1065.71 183.24 o
2 -10 1 10109.12 10574.86 351.95 o
3 -10 1 781.79 953.37 65.30 o
4 -10 1 7143.81 7568.15 128.68 o
5 -10 1 42.71 46.15 105.13 o
-3 -9 1 2990.86 2786.72 175.65 o
-2 -9 1 2102.70 2559.80 141.07 o
-1 -9 1 859.08 911.74 123.22 o
0 -9 1 65.08 47.03 127.75 o
1 -9 1 35.82 -29.55 129.31 o
2 -9 1 1899.00 1743.88 235.72 o
3 -9 1 1317.60 1423.04 82.47 o
4 -9 1 2786.76 3192.27 103.32 o
5 -9 1 2154.61 2119.27 98.91 o
6 -9 1 2244.21 1960.45 214.99 o
-4 -8 1 243.12 175.61 155.26 o
-3 -8 1 1968.07 1954.72 186.47 o
-2 -8 1 333.26 431.46 118.57 o
-1 -8 1 8725.58 9174.56 187.61 o
0 -8 1 377.80 411.84 131.19 o
1 -8 1 18011.14 18587.19 294.60 o
2 -8 1 122.05 213.62 204.04 o
3 -8 1 27961.51 30625.94 179.51 o
4 -8 1 849.19 793.76 56.72 o
5 -8 1 14240.79 14012.50 164.18 o
6 -8 1 700.78 668.16 87.18 o
-4 -7 1 2058.68 2205.65 137.92 o
-3 -7 1 17464.79 19733.59 250.23 o
-2 -7 1 2280.54 2419.07 143.79 o
-1 -7 1 18161.76 18755.11 116.44 o
0 -7 1 189.34 216.97 59.57 o
1 -7 1 6446.88 6608.00 152.25 o
2 -7 1 1003.47 1058.13 53.71 o
3 -7 1 587.33 677.36 54.52 o
4 -7 1 212.06 230.18 48.98 o
5 -7 1 41.25 46.09 74.77 o
-5 -6 1 594.73 731.03 196.98 o
-4 -6 1 732.93 657.36 119.19 o
-3 -6 1 2.36 92.29 89.17 o
-2 -6 1 193.64 203.99 56.78 o
-1 -6 1 87.02 73.75 40.87 o
0 -6 1 1516.14 1553.06 59.95 o
1 -6 1 2768.13 2443.04 117.15 o
2 -6 1 7465.57 7105.29 229.08 o
3 -6 1 8957.97 9760.72 131.56 o
4 -6 1 18154.59 18853.30 182.04 o
5 -6 1 7612.55 7371.40 158.48 o
-5 -5 1 4.30 139.64 169.25 o
-4 -5 1 9498.75 10273.76 180.49 o
-3 -5 1 21.42 84.84 88.17 o
-2 -5 1 21390.41 23206.19 804.42 o
-1 -5 1 173.15 173.17 46.86 o
0 -5 1 37688.29 36808.55 730.69 o
1 -5 1 207.65 156.45 49.52 o
2 -5 1 39553.72 39151.91 466.50 o
3 -5 1 22.08 7.51 42.75 o
4 -5 1 20453.25 20543.39 215.07 o
6 -5 1 1557.42 1459.02 283.45 o
7 -5 1 162.77 76.03 281.26 o
-6 -4 1 8822.54 8770.54 251.70 o
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-4 -4 1 16478.42 16479.87 191.03 o
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-2 -4 1 8491.60 7925.10 259.20 o
-1 -4 1 799.20 736.10 55.14 o
0 -4 1 4243.32 3905.11 178.06 o
1 -4 1 247.69 200.85 40.55 o
2 -4 1 5187.39 4846.90 224.47 o
3 -4 1 297.42 295.05 49.10 o
4 -4 1 4384.15 4582.43 160.11 o
5 -4 1 220.83 244.78 136.36 o
6 -4 1 4958.80 4895.95 222.58 o
7 -4 1 1734.72 1463.50 216.90 o
-6 -3 1 41.30 119.48 123.23 o
-5 -3 1 96.55 122.74 130.19 o
-4 -3 1 1631.42 1505.55 137.18 o
-3 -3 1 1083.51 1146.95 60.99 o
-2 -3 1 2406.76 2087.75 60.50 o
-1 -3 1 14870.67 14531.27 1219.59 o
0 -3 1 250.84 181.78 41.12 o
1 -3 1 22620.30 20257.81 142.77 o
2 -3 1 16794.33 16370.54 751.52 o
3 -3 1 35988.14 35141.27 1401.68 o
4 -3 1 8502.94 8866.81 239.74 o
5 -3 1 17127.74 17745.59 270.60 o
6 -3 1 4480.04 4187.77 175.02 o
7 -3 1 5844.17 6030.78 227.00 o
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0 -2 1 1031.99 779.64 49.70 o
1 -2 1 23412.48 21526.74 1922.36 o
2 -2 1 440.95 628.94 107.62 o
3 -2 1 11344.55 10788.56 246.57 o
4 -2 1 193.20 207.95 117.69 o
5 -2 1 44.97 -25.80 116.85 o
6 -2 1 404.27 370.16 146.46 o
7 -2 1 2107.73 2043.39 198.48 o
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-6 -1 1 1373.68 1080.70 173.40 o
-5 -1 1 1884.40 1912.98 144.43 o
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0 -1 1 3743.18 2570.88 100.13 o
1 -1 1 18238.72 16195.46 824.23 o
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3 -1 1 15425.51 14960.07 247.01 o
4 -1 1 3431.09 3583.00 156.20 o
5 -1 1 8141.29 8512.20 188.89 o
6 -1 1 5043.04 5046.87 161.08 o
7 -1 1 4967.40 4977.35 257.99 o
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-1 0 1 3378.00 2963.87 119.83 o
1 0 1 1504.93 1376.65 99.85 o
2 0 1 28307.96 25458.37 226.07 o
3 0 1 4182.99 3746.28 146.47 o
4 0 1 19182.42 20387.88 255.65 o
5 0 1 3385.84 3556.03 161.05 o
6 0 1 3014.52 3185.03 187.46 o
7 0 1 524.63 528.56 166.14 o
-7 1 1 426.24 236.98 178.66 o
-6 1 1 17592.82 18589.40 235.47 o
-5 1 1 2626.18 2734.49 136.61 o
-4 1 1 41023.36 45586.06 374.75 o
-3 1 1 1439.78 1318.83 132.61 o
-2 1 1 33905.46 34344.88 545.27 o
0 1 1 3778.71 3077.42 148.52 o
1 1 1 2270.54 2020.09 97.47 o
2 1 1 1385.43 1068.27 77.28 o
3 1 1 15.88 -2.56 104.39 o
4 1 1 1794.73 1726.39 110.87 o
5 1 1 13.22 -23.48 132.06 o
6 1 1 8048.43 8163.75 179.35 o
-7 2 1 803.19 757.71 177.16 o
-6 2 1 124.29 62.69 121.81 o
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-3 2 1 128.72 166.34 64.55 o
-2 2 1 6638.84 5956.39 145.81 o
-1 2 1 729.55 580.51 223.69 o
0 2 1 9602.58 8523.88 288.18 o
1 2 1 19536.63 17829.25 191.02 o
2 2 1 17816.64 16460.47 655.16 o
3 2 1 17565.41 18420.88 213.29 o
4 2 1 10083.94 10517.04 190.81 o
5 2 1 7810.42 8144.14 178.00 o
6 2 1 5036.99 4919.11 162.70 o
-7 3 1 4528.45 4530.04 212.38 o
-6 3 1 356.23 325.80 124.03 o
-5 3 1 20740.81 21361.17 297.01 o
-4 3 1 297.44 308.33 83.06 o
-3 3 1 55384.92 59916.73 424.24 o
-2 3 1 13750.48 13711.19 1217.61 o
-1 3 1 28267.29 27441.08 590.02 o
0 3 1 21.27 29.80 85.95 o
1 3 1 32095.35 30854.15 636.65 o
2 3 1 433.31 461.20 76.27 o
3 3 1 5953.73 5653.64 139.38 o
4 3 1 554.69 458.67 94.37 o
5 3 1 65.83 -42.64 168.95 o
6 3 1 287.11 413.76 157.84 o
-7 4 1 13370.76 13631.58 296.52 o
-6 4 1 278.03 266.33 161.35 o
-5 4 1 12736.80 13328.08 308.25 o
-4 4 1 690.09 781.68 60.97 o
-3 4 1 3537.86 3262.53 91.07 o
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-1 4 1 24.29 53.57 83.67 o
0 4 1 1969.77 1821.12 87.13 o
1 4 1 12907.60 13277.02 148.19 o
2 4 1 808.97 808.80 136.18 o
3 4 1 11401.70 11295.55 191.35 o
4 4 1 12.26 43.89 127.55 o
5 4 1 7780.60 8409.76 213.56 o
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0 5 1 17471.81 17598.57 990.33 o
1 5 1 6584.89 7241.11 182.20 o
2 5 1 24025.38 26032.40 255.65 o
3 5 1 9710.54 9614.56 183.16 o
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3 6 1 102.22 188.81 128.56 o
4 6 1 1508.22 1398.22 177.48 o
-6 7 1 890.72 776.76 91.77 o
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-3 7 1 336.59 325.81 50.31 o
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2 7 1 15389.88 15598.92 217.96 o
3 7 1 1086.48 909.98 130.83 o
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0 -10 2 18550.74 18774.25 282.02 o
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3 -10 2 146.84 162.33 60.56 o
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-3 -9 2 642.35 708.76 222.68 o
-2 -9 2 2998.28 3019.77 191.64 o
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0 -9 2 472.03 420.03 45.01 o
1 -9 2 5.13 24.88 56.62 o
2 -9 2 647.63 724.92 62.52 o
3 -9 2 1112.16 1173.87 74.67 o
4 -9 2 3928.29 4057.93 106.28 o
5 -9 2 564.73 496.14 84.33 o
6 -9 2 8406.62 7422.90 165.00 o
-4 -8 2 388.98 501.56 215.35 o
-3 -8 2 1113.61 1214.61 175.34 o
-2 -8 2 1719.01 1803.87 144.87 o
-1 -8 2 7739.51 8114.45 80.24 o
0 -8 2 5679.64 5929.45 72.29 o
1 -8 2 10138.60 10562.15 100.74 o
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3 -8 2 17522.53 18731.33 853.35 o
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6 -8 2 3028.58 2970.13 117.28 o
-4 -7 2 0.02 3.57 119.98 o
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1 -7 2 17100.35 17475.18 421.54 o
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