#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/76/2207687.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_2207687_Fobs
loop_
_publ_author_name
'Van Almsick, Tobias'
'Sheldrick, William S.'
_publ_section_title
;
 Tricaesium tetraselenidoarsenate(V) monohydrate
;
_journal_coeditor_code           WM6117
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i280
_journal_page_last               i281
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 91.730
_cell_angle_gamma                90.000
_cell_length_a                   9.9939
_cell_length_b                   10.5413
_cell_length_c                   12.3716
_exptl_crystal_F_000             1376.00
_reflns_d_resolution_high        0.8409
_[local]_cod_data_source_file    wm6117Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' TP355 in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            650.18
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 1545.09 1232.71 496.43 o
4 0 0 13203.79 14668.27 719.87 o
6 0 0 16953.82 17189.71 1000.88 o
8 0 0 4380.66 1874.24 678.83 o
10 0 0 7269.59 6135.91 948.90 o
1 1 0 2265.35 2519.96 160.97 o
2 1 0 24.93 231.56 151.32 o
3 1 0 85973.12 82412.80 2973.40 o
4 1 0 1861.08 2336.39 385.81 o
5 1 0 55571.30 57092.23 1834.74 o
6 1 0 5738.98 4984.54 650.83 o
7 1 0 6001.59 5712.47 721.25 o
8 1 0 6202.77 6663.34 778.66 o
9 1 0 4.43 0.00 832.64 o
10 1 0 1703.65 1071.94 1009.68 o
11 1 0 223.80 354.26 576.71 o
0 2 0 25.59 103.82 100.59 o
1 2 0 22952.58 22182.32 676.74 o
2 2 0 83243.57 74010.03 6171.89 o
3 2 0 1210.90 669.98 265.12 o
4 2 0 15944.15 16760.61 674.27 o
5 2 0 19752.72 21463.69 842.99 o
6 2 0 1377.78 620.56 466.42 o
7 2 0 492.86 87.22 500.05 o
8 2 0 36724.03 46278.36 1569.63 o
9 2 0 18304.30 22704.75 1242.94 o
10 2 0 1916.03 1500.02 738.72 o
11 2 0 29.42 428.00 689.06 o
1 3 0 185043.31 177064.92 3782.23 o
2 3 0 53111.90 54516.73 3128.50 o
3 3 0 8479.38 10490.01 522.31 o
4 3 0 11907.94 12193.73 639.99 o
5 3 0 4383.08 5278.64 530.81 o
6 3 0 12669.79 12479.34 891.71 o
7 3 0 50007.49 54019.63 1656.94 o
8 3 0 28.41 157.44 614.19 o
9 3 0 17.54 903.53 575.47 o
10 3 0 94.96 0.00 585.44 o
11 3 0 3633.61 4567.41 1077.97 o
0 4 0 25476.74 28127.54 844.68 o
1 4 0 98254.46 97340.67 2850.48 o
2 4 0 25509.82 26396.50 779.44 o
3 4 0 5089.63 4998.04 473.94 o
4 4 0 41000.78 44906.26 1389.71 o
5 4 0 8323.79 10369.23 690.17 o
6 4 0 2324.01 521.99 561.86 o
7 4 0 14111.09 14221.46 983.72 o
8 4 0 2537.05 1256.47 729.66 o
9 4 0 891.33 1194.77 655.42 o
10 4 0 384.08 373.06 665.26 o
11 4 0 53.37 297.70 727.69 o
1 5 0 1244.05 416.31 258.65 o
2 5 0 34624.39 34574.09 850.24 o
3 5 0 222.11 154.88 326.56 o
4 5 0 14765.61 17569.52 830.05 o
5 5 0 3957.04 3283.60 564.82 o
6 5 0 173.03 100.88 467.58 o
7 5 0 7410.42 6813.51 775.69 o
8 5 0 13272.74 14054.32 1033.34 o
9 5 0 4641.79 3723.27 1037.07 o
10 5 0 8649.90 10065.88 1074.78 o
0 6 0 36260.97 39330.87 1288.88 o
1 6 0 8017.00 7233.14 548.74 o
2 6 0 6476.25 3617.66 492.66 o
3 6 0 920.41 790.22 405.74 o
4 6 0 1429.87 1207.22 507.41 o
5 6 0 2791.62 2617.53 559.31 o
6 6 0 33987.54 43882.47 1513.39 o
7 6 0 3628.75 2738.74 658.63 o
8 6 0 2439.11 1502.47 782.70 o
9 6 0 14921.18 20088.12 1318.38 o
10 6 0 1755.50 1139.98 735.47 o
1 7 0 35716.48 39799.51 1300.53 o
2 7 0 10957.44 10102.26 3365.37 o
3 7 0 28.04 319.81 393.55 o
4 7 0 36.82 0.00 427.24 o
5 7 0 347.18 342.79 492.07 o
6 7 0 17225.49 21336.42 1094.11 o
7 7 0 164.82 305.01 559.82 o
8 7 0 1.21 963.70 541.78 o
9 7 0 124.58 0.00 666.67 o
0 8 0 1150.67 823.63 370.63 o
1 8 0 27736.67 32907.53 1070.37 o
2 8 0 990.16 1249.19 876.39 o
3 8 0 223.29 543.88 480.77 o
4 8 0 1121.12 0.00 440.47 o
5 8 0 7736.91 5900.98 794.20 o
6 8 0 2353.39 1320.69 626.93 o
7 8 0 4708.52 4399.40 747.24 o
8 8 0 57.82 0.00 930.01 o
9 8 0 1037.43 778.42 759.44 o
1 9 0 16611.51 14162.09 951.45 o
2 9 0 1376.51 798.87 621.00 o
3 9 0 6994.36 6828.45 762.53 o
4 9 0 21.99 0.00 507.90 o
5 9 0 87.76 266.29 506.01 o
6 9 0 1511.03 1714.84 640.27 o
7 9 0 579.29 958.62 692.79 o
8 9 0 5978.29 6753.51 895.01 o
0 10 0 7002.70 9582.60 828.60 o
1 10 0 3.96 0.00 466.24 o
2 10 0 4601.17 2249.61 663.32 o
3 10 0 183.94 0.00 529.73 o
4 10 0 3861.86 2379.01 854.17 o
5 10 0 1516.04 911.52 629.54 o
6 10 0 290.82 103.06 541.79 o
7 10 0 6.03 260.78 567.88 o
1 11 0 2798.73 16.04 845.55 o
2 11 0 696.14 692.99 601.22 o
3 11 0 1276.08 371.28 818.11 o
4 11 0 1496.48 0.00 560.82 o
5 11 0 1573.94 1357.69 856.09 o
0 12 0 92.04 12.81 682.23 o
1 12 0 882.05 1157.94 549.41 o
2 12 0 787.95 532.13 714.63 o
3 12 0 4.38 204.22 603.94 o
-11 0 1 517.93 0.00 740.34 o
-9 0 1 74147.68 76560.17 2570.81 o
-7 0 1 1439.01 577.65 578.41 o
-5 0 1 1838.09 1927.67 485.26 o
-3 0 1 138383.52 145845.11 5117.68 o
-1 0 1 4440.57 6644.09 269.39 o
1 0 1 94.87 573.60 99.84 o
3 0 1 422735.31 496415.81 8100.96 o
5 0 1 16955.56 20483.38 884.61 o
7 0 1 19471.62 19493.31 1072.74 o
9 0 1 4253.26 2776.30 684.96 o
11 0 1 4969.82 2629.23 768.41 o
-11 1 1 3.28 495.28 549.37 o
-10 1 1 1618.69 884.58 627.75 o
-9 1 1 9382.38 8346.56 857.29 o
-8 1 1 17.03 901.64 612.29 o
-7 1 1 4492.70 4956.64 731.76 o
-6 1 1 4882.68 4124.01 604.80 o
-5 1 1 45061.19 44059.80 1309.54 o
-4 1 1 684.99 929.09 356.39 o
-3 1 1 18513.41 20131.71 696.36 o
-2 1 1 1967.94 1896.30 649.54 o
-1 1 1 2951.19 3040.44 189.79 o
0 1 1 24.12 1014.23 345.20 o
1 1 1 20983.41 18571.01 926.49 o
2 1 1 35572.11 33645.44 948.83 o
3 1 1 48655.11 44444.88 1264.84 o
4 1 1 17491.33 18134.81 704.17 o
5 1 1 11546.34 11492.66 691.52 o
6 1 1 28003.75 31902.36 1125.88 o
7 1 1 1149.99 599.55 511.67 o
8 1 1 618.21 762.09 596.29 o
9 1 1 1764.46 0.00 600.81 o
10 1 1 224.89 865.40 766.89 o
11 1 1 4275.59 2822.27 931.26 o
-11 2 1 18.86 0.00 1398.91 o
-10 2 1 1001.06 2086.34 835.94 o
-9 2 1 7.73 0.00 584.58 o
-8 2 1 3418.55 3838.83 823.91 o
-7 2 1 3378.89 3430.08 697.01 o
-6 2 1 27866.25 29011.77 1126.71 o
-5 2 1 15380.05 14805.43 767.19 o
-4 2 1 4434.48 3297.19 454.54 o
-3 2 1 1216.58 205.13 273.19 o
-2 2 1 386.51 161.40 171.94 o
0 2 1 12174.57 14178.54 387.40 o
1 2 1 1460.54 410.64 216.57 o
2 2 1 918.49 318.37 248.03 o
3 2 1 8747.72 7822.60 460.46 o
4 2 1 16763.64 15665.11 650.35 o
5 2 1 14645.50 16214.51 754.83 o
6 2 1 7339.45 6379.31 719.24 o
7 2 1 20660.02 20967.16 1118.27 o
8 2 1 24881.71 27728.62 1353.92 o
9 2 1 19237.93 24329.71 1345.22 o
10 2 1 1638.60 1770.67 759.39 o
11 2 1 4307.91 3045.74 1020.40 o
-11 3 1 321.55 168.45 696.86 o
-10 3 1 4064.40 4673.13 894.53 o
-9 3 1 835.46 2172.59 661.87 o
-8 3 1 11813.29 13164.64 1004.41 o
-7 3 1 13262.98 12909.66 920.12 o
-6 3 1 119.95 0.00 498.23 o
-5 3 1 7916.81 9926.91 694.09 o
-4 3 1 28718.57 29938.43 941.05 o
-3 3 1 3622.04 3087.18 380.61 o
-2 3 1 89189.76 85388.49 3400.84 o
-1 3 1 40148.23 42506.95 1628.22 o
0 3 1 34468.54 35674.18 931.03 o
1 3 1 739.46 628.06 246.97 o
2 3 1 46493.25 46057.66 1297.91 o
3 3 1 471.82 46.50 278.08 o
4 3 1 155671.80 150744.83 4618.14 o
5 3 1 42713.63 44938.89 1382.16 o
6 3 1 20.25 315.16 442.33 o
7 3 1 278.40 0.00 636.51 o
8 3 1 4302.64 3833.41 769.28 o
9 3 1 3065.35 2319.86 1009.14 o
10 3 1 281.80 0.00 582.31 o
11 3 1 1025.98 261.18 1142.01 o
-11 4 1 189.12 1062.69 732.44 o
-10 4 1 4571.93 4326.11 1056.23 o
-9 4 1 1439.04 0.00 1170.15 o
-8 4 1 2831.05 3296.71 715.54 o
-7 4 1 9256.03 8473.84 888.62 o
-6 4 1 3202.06 1747.34 549.95 o
-5 4 1 32179.67 33862.89 1123.81 o
-4 4 1 182.30 269.24 344.68 o
-3 4 1 3787.52 2149.26 444.97 o
-2 4 1 116.74 85.05 199.94 o
-1 4 1 37304.96 41059.68 1181.66 o
0 4 1 24433.87 26418.89 539.70 o
1 4 1 9420.30 10438.27 476.71 o
2 4 1 50202.88 52623.24 2178.66 o
3 4 1 7961.15 8705.72 561.19 o
4 4 1 17766.04 19927.87 800.41 o
5 4 1 1258.60 759.98 416.58 o
6 4 1 2681.39 1527.67 526.75 o
7 4 1 2345.02 562.60 660.84 o
8 4 1 3546.29 2943.59 727.64 o
9 4 1 38.76 0.00 588.76 o
10 4 1 9252.19 9191.39 1283.49 o
11 4 1 702.65 365.38 695.74 o
-10 5 1 8502.11 8927.75 1063.28 o
-9 5 1 601.87 0.00 540.76 o
-8 5 1 2466.17 3187.03 765.91 o
-7 5 1 14530.36 17403.92 1052.01 o
-6 5 1 4304.15 5127.64 659.85 o
-5 5 1 285.35 932.98 459.04 o
-4 5 1 482.05 3.61 378.48 o
-3 5 1 9624.39 7245.68 686.67 o
-2 5 1 24022.54 26231.85 638.25 o
-1 5 1 20681.90 20572.28 745.26 o
0 5 1 8509.97 9305.34 702.52 o
1 5 1 14927.21 14313.25 608.44 o
2 5 1 23718.01 27810.14 876.89 o
3 5 1 1438.04 1036.98 398.66 o
4 5 1 502.76 745.29 393.38 o
5 5 1 25669.54 27985.71 1076.69 o
6 5 1 402.15 0.00 456.86 o
7 5 1 6575.74 3734.55 707.16 o
8 5 1 1468.20 1386.84 594.52 o
9 5 1 8766.12 8060.44 1061.92 o
10 5 1 1231.93 728.32 934.65 o
-10 6 1 266.14 0.00 681.10 o
-9 6 1 825.45 467.69 688.16 o
-8 6 1 6.90 0.00 521.66 o
-7 6 1 30.44 399.43 557.72 o
-6 6 1 5030.56 2036.69 857.08 o
-5 6 1 1724.06 1936.49 569.78 o
-4 6 1 2204.56 924.17 464.84 o
-3 6 1 77313.08 82387.31 2317.05 o
-2 6 1 75.88 495.25 247.83 o
-1 6 1 267.01 760.55 337.76 o
0 6 1 16261.26 20033.71 492.30 o
1 6 1 44648.90 47340.36 1601.92 o
2 6 1 7396.37 3745.98 730.67 o
3 6 1 7959.44 7099.64 632.27 o
4 6 1 12323.98 14417.81 847.32 o
5 6 1 40761.76 51245.52 1462.62 o
6 6 1 3989.93 2480.21 677.18 o
7 6 1 1256.03 260.24 552.66 o
8 6 1 9603.87 10233.67 1008.74 o
9 6 1 764.43 332.26 605.21 o
10 6 1 3005.26 624.10 861.40 o
-9 7 1 106.78 0.00 543.49 o
-8 7 1 13588.84 16967.47 1244.83 o
-7 7 1 7.25 839.10 684.89 o
-6 7 1 15.11 0.00 471.65 o
-5 7 1 8.93 406.64 455.33 o
-4 7 1 5136.98 5135.56 690.00 o
-3 7 1 251.85 0.00 413.96 o
-2 7 1 2310.20 915.59 341.99 o
-1 7 1 1528.20 544.72 423.33 o
0 7 1 35080.99 40363.26 873.63 o
1 7 1 2190.96 1223.57 399.82 o
2 7 1 24677.21 25457.46 1029.25 o
3 7 1 1895.21 1704.74 493.96 o
4 7 1 4968.85 5802.75 670.71 o
5 7 1 11252.53 11347.88 946.04 o
6 7 1 3780.73 3085.95 639.84 o
7 7 1 2883.44 2141.64 641.39 o
8 7 1 11.30 0.00 517.96 o
9 7 1 3763.74 2716.31 922.87 o
-9 8 1 184.14 241.14 631.56 o
-8 8 1 11040.47 16158.31 1186.68 o
-7 8 1 355.17 0.00 440.91 o
-6 8 1 1198.38 963.42 533.58 o
-5 8 1 5545.89 4660.17 965.80 o
-4 8 1 32506.78 36506.50 1361.07 o
-3 8 1 14088.28 18328.97 981.87 o
-2 8 1 13964.26 16073.03 924.51 o
-1 8 1 311.44 401.72 386.16 o
0 8 1 942.35 590.04 269.87 o
1 8 1 661.69 442.07 376.87 o
2 8 1 398.97 0.00 434.56 o
3 8 1 18390.69 23560.05 1065.19 o
4 8 1 18599.64 14427.16 1105.53 o
5 8 1 3565.64 3068.79 671.72 o
6 8 1 8938.56 8017.31 851.80 o
7 8 1 890.20 0.00 495.60 o
8 8 1 277.87 0.00 624.83 o
9 8 1 737.46 670.78 654.17 o
-8 9 1 49.45 0.00 618.65 o
-7 9 1 201.58 0.00 570.92 o
-6 9 1 5828.09 6983.19 861.23 o
-5 9 1 3257.74 1968.46 928.56 o
-4 9 1 53.15 495.19 623.77 o
-3 9 1 2283.70 385.75 582.33 o
-2 9 1 9077.63 11557.68 867.64 o
-1 9 1 15165.97 14407.35 916.24 o
0 9 1 11632.52 13392.37 1130.93 o
1 9 1 167.85 274.83 451.82 o
2 9 1 734.24 483.92 495.50 o
3 9 1 9017.33 9776.52 851.09 o
4 9 1 3914.95 3028.41 719.58 o
5 9 1 57.23 46.12 539.12 o
6 9 1 589.67 1510.67 598.18 o
7 9 1 309.30 0.00 786.83 o
8 9 1 2829.74 2735.27 827.22 o
-7 10 1 6381.79 5745.10 1033.84 o
-6 10 1 4296.66 3192.11 824.37 o
-5 10 1 6359.15 2381.92 873.79 o
-4 10 1 51.45 0.00 510.08 o
-3 10 1 102.84 0.00 592.46 o
-2 10 1 12796.27 17603.39 1073.53 o
-1 10 1 7609.81 8252.93 774.41 o
0 10 1 9774.55 13520.16 627.09 o
1 10 1 605.29 0.00 445.38 o
2 10 1 520.93 198.25 574.64 o
3 10 1 5901.08 6763.37 821.76 o
4 10 1 11258.00 12368.01 1035.35 o
5 10 1 69.68 223.20 499.65 o
6 10 1 2929.08 1527.45 863.77 o
7 10 1 913.06 229.67 761.61 o
-5 11 1 2099.59 1756.09 704.64 o
-4 11 1 129.55 1022.83 604.99 o
-3 11 1 1201.13 759.55 632.28 o
-2 11 1 2675.18 2410.38 726.89 o
-1 11 1 19116.81 24040.53 1206.21 o
0 11 1 36.30 232.29 332.63 o
1 11 1 3105.48 918.28 588.33 o
2 11 1 1951.83 806.86 1023.55 o
3 11 1 6.75 574.61 559.62 o
4 11 1 0.51 155.25 728.25 o
5 11 1 1376.25 1659.29 715.04 o
-3 12 1 394.25 72.88 597.69 o
-2 12 1 363.83 844.91 685.57 o
-1 12 1 203.38 1448.09 615.14 o
0 12 1 442.29 1050.80 398.00 o
1 12 1 1005.69 913.28 695.76 o
2 12 1 1094.43 1415.25 681.05 o
3 12 1 16.23 992.36 705.67 o
-10 0 2 43.68 489.30 574.52 o
-8 0 2 36119.04 38395.36 1383.79 o
-6 0 2 81239.71 79117.05 2388.07 o
-4 0 2 1005.33 718.33 406.15 o
-2 0 2 108239.83 101435.78 3484.94 o
0 0 2 17553.56 19190.31 592.88 o
2 0 2 52443.44 54690.59 1852.32 o
4 0 2 226.15 1066.14 326.94 o
6 0 2 65718.33 71867.77 2281.73 o
8 0 2 2679.59 509.93 605.43 o
10 0 2 967.74 306.93 583.11 o
-11 1 2 4806.03 5275.19 881.27 o
-10 1 2 721.67 0.00 582.62 o
-9 1 2 1291.00 1475.38 617.86 o
-8 1 2 315.16 126.88 738.15 o
-7 1 2 7223.03 8429.87 782.89 o
-6 1 2 63540.21 58120.98 1729.91 o
-5 1 2 36521.33 38630.26 1197.02 o
-4 1 2 17213.86 18602.82 799.44 o
-3 1 2 101008.33 98742.80 3461.13 o
-2 1 2 46101.91 39885.30 1263.84 o
-1 1 2 768.68 1028.05 247.57 o
0 1 2 886.82 597.78 101.53 o
1 1 2 1728.17 2197.06 195.71 o
2 1 2 27438.06 25343.36 724.23 o
3 1 2 40430.43 36732.01 1036.96 o
4 1 2 113.04 2.75 321.05 o
5 1 2 5696.70 5250.62 510.23 o
6 1 2 3516.47 4309.19 567.84 o
7 1 2 570.22 268.01 520.74 o
8 1 2 396.27 1001.60 615.35 o
9 1 2 34.08 1000.81 575.47 o
10 1 2 2440.43 1819.20 730.58 o
11 1 2 576.74 453.73 688.81 o
-11 2 2 1546.37 0.00 646.91 o
-10 2 2 8454.54 9756.00 978.04 o
-9 2 2 221.42 432.37 526.98 o
-8 2 2 203.44 611.07 595.31 o
-7 2 2 143.96 665.82 546.06 o
-6 2 2 12443.46 10457.03 828.61 o
-5 2 2 28373.79 29373.92 1061.00 o
-4 2 2 31122.51 29415.63 957.33 o
-3 2 2 128550.34 109428.23 3402.71 o
-2 2 2 72071.93 61024.51 2388.43 o
-1 2 2 39426.18 31652.72 1041.44 o
0 2 2 125696.42 123201.30 3215.78 o
1 2 2 4894.08 3187.24 308.00 o
2 2 2 46362.16 47810.66 1892.36 o
3 2 2 27258.14 27982.31 920.67 o
4 2 2 35840.16 35779.26 1085.81 o
5 2 2 931.75 377.37 368.73 o
6 2 2 0.76 15.66 432.26 o
7 2 2 16141.26 17186.12 1002.65 o
8 2 2 7553.88 6155.49 869.15 o
9 2 2 5457.11 3456.75 951.35 o
10 2 2 239.00 357.59 626.82 o
11 2 2 4313.50 3696.76 1022.30 o
-11 3 2 6198.07 9670.23 1021.59 o
-10 3 2 5199.64 4970.13 870.11 o
-9 3 2 0.88 169.30 572.05 o
-8 3 2 551.30 15.28 580.62 o
-7 3 2 178.82 0.00 506.96 o
-6 3 2 1743.99 697.94 490.35 o
-5 3 2 127336.41 135271.91 4726.93 o
-4 3 2 36894.92 39319.27 1220.58 o
-3 3 2 12247.05 11344.99 590.43 o
-2 3 2 528.25 517.92 335.69 o
-1 3 2 76.40 52.01 204.80 o
0 3 2 0.70 0.00 141.75 o
1 3 2 10630.57 11626.41 475.08 o
2 3 2 27660.94 29726.21 960.16 o
3 3 2 4731.50 5355.74 444.21 o
4 3 2 17597.21 19368.74 754.85 o
5 3 2 90446.67 100470.95 3717.94 o
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