#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2207374.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_2207374_Fobs
loop_
_publ_author_name
'Van Almsick, Tobias'
'Sheldrick, William S.'
_publ_section_title
;
 Tetracaesium strontium <i>catena</i>-nonaselenidotristannate(IV)
;
_journal_coeditor_code           WM6093
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i225
_journal_page_last               i227
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   14.5282
_cell_length_b                   14.5282
_cell_length_c                   9.6854
_exptl_crystal_F_000             2142.00
_reflns_d_resolution_high        0.8411
_[local]_cod_data_source_file    wm6093Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' TPP34 in R3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            823.98
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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 2 -1 31103.21 27167.21 2733.97 o
1 2 -1 6862.88 6878.68 231.65 o
-4 3 -1 260089.70 233811.36 14928.40 o
-1 3 -1 45606.14 43193.12 983.03 o
2 3 -1 45560.03 41082.51 1475.92 o
-6 4 -1 64785.84 55468.47 2028.96 o
0 4 -1 75337.80 77447.20 1432.68 o
3 4 -1 126861.83 129772.88 2284.37 o
-8 5 -1 234465.17 246317.45 3571.87 o
-5 5 -1 13707.95 11758.58 1978.26 o
-2 5 -1 37669.35 37899.75 1069.41 o
1 5 -1 131593.52 128271.17 2245.50 o
4 5 -1 42113.84 48351.67 1707.02 o
-10 6 -1 12397.08 10711.06 493.70 o
-7 6 -1 40067.18 40928.57 1073.37 o
-4 6 -1 47413.09 51236.06 1300.15 o
-1 6 -1 174136.06 166836.58 2379.40 o
2 6 -1 351389.59 296321.38 3617.84 o
5 6 -1 8453.95 9257.17 444.09 o
-12 7 -1 8258.48 9596.13 516.64 o
-6 7 -1 14236.07 15663.44 916.22 o
-3 7 -1 32558.34 34395.33 1177.73 o
0 7 -1 4136.52 5169.48 295.82 o
3 7 -1 13339.40 11663.14 436.72 o
6 7 -1 30931.92 39031.16 1091.99 o
-14 8 -1 35210.76 34786.09 1168.72 o
-11 8 -1 50885.05 47164.21 1456.89 o
-8 8 -1 728.36 1104.60 209.05 o
-5 8 -1 14338.56 14937.28 377.01 o
-2 8 -1 59581.87 57710.34 1646.58 o
1 8 -1 23236.56 24594.49 653.44 o
4 8 -1 66506.55 65927.77 2012.76 o
7 8 -1 10396.78 12994.52 536.30 o
-16 9 -1 30061.08 32580.27 1030.18 o
-13 9 -1 14031.64 12754.04 603.38 o
-10 9 -1 132660.86 129769.08 5604.38 o
-7 9 -1 83084.95 80156.71 1948.23 o
-4 9 -1 61521.89 58707.02 1787.94 o
-1 9 -1 444.77 1093.35 270.79 o
2 9 -1 8741.53 7879.10 415.60 o
5 9 -1 21174.21 21130.66 667.64 o
8 9 -1 707.95 419.15 355.44 o
-15 10 -1 102522.63 115394.55 3274.68 o
-12 10 -1 18292.66 14600.05 688.58 o
-9 10 -1 36883.71 38923.49 830.27 o
-6 10 -1 112355.82 113169.70 2507.28 o
-3 10 -1 17830.44 16967.15 479.87 o
0 10 -1 8623.33 9788.37 428.71 o
3 10 -1 102124.31 87466.30 2435.10 o
6 10 -1 3320.38 3654.70 417.33 o
-14 11 -1 28426.04 28037.11 878.27 o
-11 11 -1 20202.21 19728.95 491.06 o
-8 11 -1 55701.48 56273.10 1783.57 o
-5 11 -1 170292.03 173207.02 3169.10 o
-2 11 -1 62420.01 60677.54 1973.35 o
1 11 -1 63979.86 59959.56 2503.64 o
4 11 -1 6821.35 5826.47 452.92 o
-16 12 -1 17717.76 17197.07 776.05 o
-13 12 -1 13131.88 14439.93 1573.63 o
-10 12 -1 91393.83 86643.19 2399.97 o
-7 12 -1 15424.06 16167.35 485.87 o
-4 12 -1 95616.74 90466.37 2662.20 o
-1 12 -1 59236.72 60896.27 2261.43 o
2 12 -1 17733.37 14937.46 549.41 o
-15 13 -1 2977.50 2500.45 601.38 o
-12 13 -1 9576.91 9376.38 855.79 o
-9 13 -1 8211.70 8335.85 405.87 o
-6 13 -1 135.04 388.66 272.61 o
-3 13 -1 76396.06 74237.67 2539.41 o
0 13 -1 19304.69 20409.68 634.69 o
3 13 -1 14365.63 11553.55 570.61 o
-14 14 -1 11418.94 11362.42 460.57 o
-11 14 -1 23523.28 23430.32 669.37 o
-8 14 -1 12781.75 14260.90 497.71 o
-5 14 -1 5379.38 4970.05 409.51 o
-2 14 -1 17325.57 18293.88 621.68 o
1 14 -1 28233.78 25856.05 759.30 o
-12 16 -1 29543.75 28624.93 791.98 o
-9 16 -1 14851.33 15755.93 562.60 o
-6 16 -1 15425.21 15879.63 596.37 o
1 1 0 25549.69 25890.00 2632.75 o
-1 2 0 21753.23 22685.42 2008.76 o
2 2 0 207318.03 222625.27 2500.73 o
-3 3 0 32705.55 30616.52 4510.98 o
0 3 0 31848.12 33303.71 927.87 o
3 3 0 75043.70 88100.98 2088.76 o
-5 4 0 60444.94 59244.08 1302.75 o
-2 4 0 201325.34 200665.16 2027.96 o
1 4 0 31481.06 31858.02 1120.38 o
4 4 0 12282.89 17609.68 544.04 o
-4 5 0 30422.88 31084.85 781.15 o
-1 5 0 67166.09 64244.50 1588.51 o
2 5 0 190977.09 174106.94 2781.62 o
5 5 0 24974.28 32582.09 988.31 o
-9 6 0 1787.82 1953.87 410.05 o
-6 6 0 86266.70 85191.14 4467.21 o
-3 6 0 67625.47 71358.66 1629.29 o
0 6 0 80167.19 78039.47 1809.69 o
3 6 0 18049.71 19111.90 507.63 o
6 6 0 39160.75 46670.23 1935.57 o
-11 7 0 62280.40 60108.12 2315.77 o
-8 7 0 45377.89 44402.51 1749.30 o
-5 7 0 199467.98 189745.16 2536.23 o
1 7 0 31064.74 31029.36 883.55 o
4 7 0 132710.06 137350.06 3127.59 o
7 7 0 71083.15 85315.45 2569.72 o
-13 8 0 81113.31 92762.38 2712.35 o
-10 8 0 926.33 1147.96 407.69 o
-7 8 0 35695.82 40212.82 3344.91 o
-4 8 0 14174.78 18829.00 474.40 o
-1 8 0 49659.20 49193.63 1695.55 o
2 8 0 79000.52 71143.84 2102.78 o
5 8 0 36398.14 39940.55 1175.09 o
8 8 0 2564.00 2842.51 416.61 o
-15 9 0 25264.99 25896.55 975.93 o
-12 9 0 52124.70 45890.82 1397.64 o
-9 9 0 197224.08 195968.89 2552.17 o
-6 9 0 17062.97 19027.34 554.32 o
-3 9 0 1207.83 1466.81 248.12 o
0 9 0 207360.86 215935.55 3706.31 o
3 9 0 219839.58 195608.25 3811.44 o
6 9 0 4336.87 3721.87 434.54 o
-17 10 0 9504.96 9545.07 580.81 o
-14 10 0 98418.53 106495.55 3269.13 o
-11 10 0 11053.87 10524.58 460.11 o
-8 10 0 85367.31 84101.86 2053.45 o
-5 10 0 25831.02 27318.77 726.72 o
-2 10 0 603.86 229.65 284.26 o
1 10 0 67315.93 70096.01 2234.49 o
4 10 0 1232.29 1361.14 357.17 o
7 10 0 30587.34 35601.46 1155.52 o
-16 11 0 13573.92 16240.35 711.61 o
-13 11 0 36824.33 28114.57 1121.11 o
-10 11 0 61824.90 65931.50 5263.19 o
-7 11 0 131170.14 124887.91 2671.76 o
-4 11 0 60287.88 62578.90 2019.95 o
-1 11 0 13110.93 14521.40 540.94 o
2 11 0 16408.28 16454.70 596.28 o
5 11 0 36174.38 41447.68 1303.16 o
-15 12 0 18774.13 18123.31 808.45 o
-12 12 0 26119.81 26858.81 583.39 o
-9 12 0 218778.97 197053.56 3582.88 o
-6 12 0 33571.91 36574.39 976.30 o
-3 12 0 55861.34 63308.62 2101.78 o
0 12 0 24228.55 25756.84 685.48 o
3 12 0 2626.59 1362.41 396.85 o
-14 13 0 12612.11 12657.12 690.76 o
-11 13 0 17521.40 16679.62 573.44 o
-8 13 0 39288.42 40666.27 1105.73 o
-5 13 0 76607.30 74799.19 2352.91 o
-2 13 0 36908.80 41841.81 1259.65 o
1 13 0 2498.95 2287.37 400.77 o
-13 14 0 2179.17 2954.30 315.65 o
-10 14 0 808.24 1184.01 307.29 o
-7 14 0 75101.12 74668.30 2418.53 o
-4 14 0 95534.34 102152.99 3081.54 o
-1 14 0 10096.70 10998.41 569.80 o
-11 16 0 34450.23 32016.21 956.00 o
-8 16 0 1990.60 1677.62 354.98 o
-5 16 0 13488.51 15148.00 615.40 o
-3 2 1 51527.75 50926.53 3445.53 o
0 2 1 33924.17 33921.02 761.30 o
-5 3 1 42762.35 35869.43 1348.48 o
-2 3 1 5895.51 5217.90 146.86 o
-7 4 1 32890.14 40917.94 1045.02 o
-4 4 1 65489.58 63662.84 5313.07 o
-1 4 1 279976.19 285779.06 2521.39 o
2 4 1 52935.22 50847.39 1474.55 o
-9 5 1 69157.18 72487.06 2089.67 o
-6 5 1 159629.34 152466.41 3870.78 o
-3 5 1 36630.38 37679.75 994.59 o
0 5 1 11260.03 12091.04 326.31 o
3 5 1 12177.15 12972.13 433.26 o
-11 6 1 180899.13 219934.77 3646.14 o
-8 6 1 60382.21 43340.21 2001.20 o
-5 6 1 146702.38 159931.02 9302.77 o
-2 6 1 58498.10 56871.75 1417.21 o
1 6 1 17308.22 18457.91 484.51 o
4 6 1 130232.96 148981.23 2850.43 o
-13 7 1 347.78 131.80 311.66 o
-10 7 1 15907.13 12996.25 596.65 o
-7 7 1 5898.42 6354.37 279.21 o
-4 7 1 135065.03 128849.17 2172.87 o
-1 7 1 34792.58 36452.61 1402.10 o
2 7 1 74139.44 64406.52 2154.03 o
5 7 1 15320.76 19583.84 593.92 o
-15 8 1 12371.74 13358.69 602.29 o
-12 8 1 101438.06 100927.11 3014.45 o
-9 8 1 927.69 642.69 351.75 o
-6 8 1 368545.91 340656.63 3588.71 o
-3 8 1 236868.28 237594.78 3181.93 o
0 8 1 243.37 603.75 251.04 o
3 8 1 49870.81 45433.88 1157.79 o
6 8 1 12678.57 15059.71 563.24 o
-17 9 1 20690.60 20503.07 705.24 o
-14 9 1 5609.72 5510.45 515.36 o
-11 9 1 53508.54 41359.12 1462.99 o
-8 9 1 27353.64 31203.83 3109.57 o
-5 9 1 40896.53 42304.93 1421.39 o
-2 9 1 25056.49 25418.42 721.62 o
1 9 1 40925.28 39846.98 1099.90 o
4 9 1 6823.33 6039.56 463.57 o
7 9 1 11196.58 11318.81 560.78 o
-16 10 1 18384.82 19838.98 711.15 o
-13 10 1 70086.05 70621.74 2837.69 o
-10 10 1 6707.80 6863.94 341.26 o
-7 10 1 16750.05 16124.57 439.73 o
-4 10 1 13374.33 14793.83 449.83 o
-1 10 1 139060.31 144988.13 3363.79 o
2 10 1 93053.05 85739.34 2761.78 o
5 10 1 14280.73 16919.46 629.14 o
-15 11 1 14431.52 15271.15 703.96 o
-12 11 1 68369.11 74569.16 5993.27 o
-9 11 1 8330.67 9740.22 409.60 o
-6 11 1 8107.73 9273.10 405.23 o
-3 11 1 58710.42 64787.54 2495.90 o
0 11 1 17996.83 20100.58 623.59 o
3 11 1 29312.28 28960.25 768.95 o
-14 12 1 20928.63 14557.18 743.46 o
-11 12 1 69613.20 70534.35 2010.30 o
-8 12 1 59362.22 57899.29 1960.79 o
-5 12 1 6537.03 7334.25 407.14 o
-2 12 1 16037.43 18057.41 589.46 o
1 12 1 8463.95 7053.44 485.24 o
4 12 1 31215.83 31511.95 977.30 o
-16 13 1 2898.96 2890.85 589.73 o
-13 13 1 21811.60 22982.49 3040.71 o
-10 13 1 100792.96 93319.44 2536.95 o
-7 13 1 34562.17 34646.28 1033.00 o
-4 13 1 13106.93 13869.33 530.11 o
-1 13 1 14655.61 16533.89 623.32 o
2 13 1 25486.36 23994.38 754.02 o
-15 14 1 2006.79 1920.40 381.69 o
-12 14 1 15651.85 15596.64 578.26 o
-9 14 1 28413.18 26881.50 798.62 o
-6 14 1 38838.89 39938.18 1227.43 o
-3 14 1 23734.48 27797.45 768.22 o
0 14 1 9540.85 8961.62 558.87 o
-14 15 1 30352.16 26174.17 991.59 o
-10 16 1 3471.57 3706.67 402.04 o
-7 16 1 27047.93 29088.04 811.09 o
-4 16 1 23925.42 26704.46 788.43 o
0 1 2 21563.16 22742.58 1078.77 o
-2 2 2 170080.88 159098.31 6176.72 o
1 2 2 82095.31 84058.81 1597.98 o
-4 3 2 208496.17 186764.77 8138.34 o
-1 3 2 116124.91 108514.68 1541.54 o
2 3 2 66248.54 55658.61 1833.81 o
-6 4 2 33250.63 26879.95 849.14 o
-3 4 2 678937.81 661061.94 37609.52 o
0 4 2 124470.28 123585.23 2056.63 o
3 4 2 135968.33 137593.72 2505.73 o
-8 5 2 192970.55 199442.44 3242.46 o
-5 5 2 54461.66 55927.00 1532.39 o
-2 5 2 26703.23 27256.96 928.60 o
1 5 2 86741.77 86894.50 2181.24 o
4 5 2 46864.00 60069.52 1908.63 o
-10 6 2 36712.28 37472.77 1186.01 o
-7 6 2 5120.97 5661.13 1002.38 o
-4 6 2 46261.41 46543.63 1240.62 o
-1 6 2 27968.41 30377.64 761.21 o
2 6 2 200911.28 170298.06 3181.84 o
5 6 2 29635.13 31296.23 882.45 o
-12 7 2 38744.47 48588.06 1263.29 o
-9 7 2 33521.11 26909.80 865.16 o
-6 7 2 29157.46 31212.00 2413.98 o
-3 7 2 11420.53 12876.10 367.00 o
0 7 2 47792.55 49510.28 1727.23 o
3 7 2 19661.98 20451.00 561.88 o
6 7 2 10514.78 12179.87 540.58 o
-14 8 2 33310.20 35789.33 1164.62 o
-11 8 2 34975.05 33689.64 1078.88 o
-8 8 2 108397.97 106825.63 2846.39 o
-5 8 2 21232.79 19549.53 589.36 o
-2 8 2 55743.29 55982.20 1701.74 o
1 8 2 92101.73 92781.95 2432.46 o
4 8 2 11330.01 11375.70 483.14 o
7 8 2 24330.58 25587.54 751.57 o
-16 9 2 42287.14 47960.74 1381.53 o
-13 9 2 20543.71 18056.96 694.04 o
-10 9 2 59574.38 60050.29 2041.80 o
-7 9 2 213827.16 201277.27 3014.27 o
-4 9 2 64651.93 66079.95 1783.11 o
-1 9 2 37482.89 38919.47 1044.93 o
2 9 2 36148.70 36818.79 1041.11 o
5 9 2 10514.73 11314.99 536.94 o
8 9 2 12503.67 12138.00 593.19 o
-15 10 2 81799.38 96416.17 3073.44 o
-12 10 2 20641.79 14197.28 682.12 o
-9 10 2 31540.34 33035.95 2925.07 o
-6 10 2 45197.95 42523.65 1551.92 o
-3 10 2 80759.92 82798.52 2224.29 o
0 10 2 420.46 1125.12 319.94 o
3 10 2 76785.19 72133.25 2350.72 o
6 10 2 15596.94 17381.58 648.35 o
-14 11 2 14682.68 14019.69 724.44 o
-11 11 2 27910.87 28949.09 727.58 o
-8 11 2 14302.49 12583.01 461.57 o
-5 11 2 68065.77 72361.63 2109.70 o
-2 11 2 160297.25 161052.25 3696.30 o
1 11 2 52277.14 53896.80 2723.91 o
4 11 2 747.90 750.56 379.47 o
-16 12 2 6289.28 6717.39 571.98 o
-13 12 2 17765.04 18118.01 796.71 o
-10 12 2 77407.54 70389.46 2182.88 o
-7 12 2 15306.90 16688.90 493.16 o
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-1 12 2 5086.04 3935.23 457.20 o
2 12 2 18206.34 16798.40 609.21 o
-15 13 2 19978.52 14271.55 793.62 o
-12 13 2 1317.08 1136.60 305.45 o
-9 13 2 2456.40 2064.92 320.40 o
-6 13 2 34344.06 34457.68 1031.82 o
-3 13 2 14338.30 15846.13 583.27 o
0 13 2 15009.98 15279.25 635.51 o
3 13 2 43294.96 41928.46 1254.91 o
-14 14 2 64836.93 67311.88 7964.16 o
-11 14 2 1295.57 1651.59 346.06 o
-8 14 2 30209.80 31818.05 899.75 o
-5 14 2 4769.48 4630.18 430.08 o
-2 14 2 6072.47 5484.05 490.70 o
1 14 2 28110.19 28145.88 817.37 o
-12 16 2 5203.21 4145.85 448.55 o
-9 16 2 80120.02 80087.72 2648.82 o
-6 16 2 2511.29 3038.94 416.24 o
1 1 3 38199.04 39514.22 838.64 o
-1 2 3 133357.38 120754.70 8308.45 o
2 2 3 24415.04 26462.44 719.25 o
-3 3 3 24439.82 22574.19 1335.20 o
0 3 3 29230.51 33593.61 1129.03 o
3 3 3 37132.85 46503.30 1747.43 o
-5 4 3 21860.28 23408.83 1183.96 o
-2 4 3 106710.76 96742.12 1653.86 o
1 4 3 141331.28 143038.25 2440.56 o
4 4 3 108161.07 130184.28 2662.02 o
-7 5 3 422728.06 359782.06 4487.82 o
-4 5 3 56637.98 54079.98 1049.78 o
-1 5 3 45808.70 48325.91 1385.53 o
2 5 3 76415.61 67368.64 2116.07 o
5 5 3 11266.94 12500.54 518.55 o
-9 6 3 33296.36 33849.38 982.85 o
-6 6 3 51081.76 51383.11 2895.40 o
-3 6 3 230384.02 219039.28 2689.96 o
0 6 3 11583.46 12295.29 390.85 o
3 6 3 14637.45 12542.78 471.58 o
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-11 7 3 30606.47 30342.69 979.85 o
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1 7 3 11670.30 12743.02 464.12 o
4 7 3 59903.73 60889.71 2172.50 o
7 7 3 13808.07 15752.47 620.04 o
-13 8 3 61435.59 70468.74 2428.46 o
-10 8 3 9956.73 8013.00 532.93 o
-7 8 3 141986.81 147850.84 10311.75 o
-4 8 3 30572.66 33957.43 1296.42 o
-1 8 3 120131.99 129083.19 2619.87 o
2 8 3 69566.40 66539.80 2118.35 o
5 8 3 29291.88 31119.92 968.20 o
8 8 3 1185.63 986.40 366.91 o
-15 9 3 7121.74 6267.38 500.53 o
-12 9 3 8370.92 7729.01 552.68 o
-9 9 3 66354.96 68042.14 1617.63 o
-6 9 3 24239.22 24737.49 682.39 o
-3 9 3 35263.17 38414.66 978.39 o
0 9 3 65772.43 66378.96 2152.02 o
3 9 3 62099.25 51977.16 2281.37 o
6 9 3 242.11 507.81 348.43 o
-14 10 3 12386.38 12448.84 599.47 o
-11 10 3 31996.32 31848.10 1131.44 o
-8 10 3 46229.16 47738.19 1672.79 o
-5 10 3 12430.54 13049.13 443.91 o
-2 10 3 10197.23 11399.36 486.97 o
1 10 3 60162.46 61180.62 2228.39 o
4 10 3 34774.22 35941.24 1090.89 o
-16 11 3 6905.90 6633.38 569.52 o
-13 11 3 6621.28 4978.24 553.68 o
-10 11 3 73576.73 81670.28 2972.40 o
-7 11 3 36470.17 34345.45 844.23 o
-4 11 3 10779.04 10129.25 494.70 o
-1 11 3 45184.05 52648.53 1392.27 o
2 11 3 9067.41 9250.07 532.11 o
5 11 3 17353.68 16962.33 672.65 o
-15 12 3 9641.43 8610.46 679.20 o
-12 12 3 3135.52 3415.91 826.52 o
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