#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/16/2011645.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_2011645_Fobs
loop_
_publ_author_name
'Low, John Nicolson'
'Wardell, James'
'Bomfim, Jo\~ao A. S.'
'Wardell, Solange M. S. V.'
_publ_section_title
;
 Chlorotris(2-methyl-2-phenylpropyl)tin(IV) at 150K
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e554
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   22.3858
_cell_length_b                   22.3858
_cell_length_c                   22.3858
_exptl_crystal_F_000             4576.00
_reflns_d_resolution_high        0.7706
_[local]_cod_data_source_file    qa0440Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            636.72
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'y, z, x'
'z, x, y'
'y+3/4, -x+1/4, -z+3/4'
'z+3/4, -y+1/4, -x+3/4'
'x+3/4, -z+1/4, -y+3/4'
'-x, -y+1/2, z'
'-z+1/2, x, -y'
'-x+1/2, y, -z'
'-y, -z+1/2, x'
'-z, -x+1/2, y'
'-y+1/4, x+1/4, -z+3/4'
'-z+1/4, y+1/4, -x+3/4'
'-x+1/4, z+1/4, -y+3/4'
'-y+1/2, z, -x'
'z+3/4, y+3/4, x+3/4'
'x+3/4, z+3/4, y+3/4'
'y+3/4, x+3/4, z+3/4'
'y+1/2, -z+1/2, -x'
'-y+3/4, -x+1/4, z+1/4'
'-z+3/4, -y+1/4, x+1/4'
'-x+3/4, -z+1/4, y+1/4'
'x+1/2, -y+1/2, -z'
'z+1/2, -x+1/2, -y'
'x+1/2, y+1/2, z+1/2'
'y+1/2, z+1/2, x+1/2'
'z+1/2, x+1/2, y+1/2'
'y+5/4, -x+3/4, -z+5/4'
'z+5/4, -y+3/4, -x+5/4'
'x+5/4, -z+3/4, -y+5/4'
'-x+1/2, -y+1, z+1/2'
'-z+1, x+1/2, -y+1/2'
'-x+1, y+1/2, -z+1/2'
'-y+1/2, -z+1, x+1/2'
'-z+1/2, -x+1, y+1/2'
'-y+3/4, x+3/4, -z+5/4'
'-z+3/4, y+3/4, -x+5/4'
'-x+3/4, z+3/4, -y+5/4'
'-y+1, z+1/2, -x+1/2'
'z+5/4, y+5/4, x+5/4'
'x+5/4, z+5/4, y+5/4'
'y+5/4, x+5/4, z+5/4'
'y+1, -z+1, -x+1/2'
'-y+5/4, -x+3/4, z+3/4'
'-z+5/4, -y+3/4, x+3/4'
'-x+5/4, -z+3/4, y+3/4'
'x+1, -y+1, -z+1/2'
'z+1, -x+1, -y+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
-1 2 3 105405.89 91761.34 1681.15 o
1 2 3 101557.63 87109.52 1754.40 o
-2 3 3 44125.69 31411.87 894.11 o
2 3 3 48179.09 35056.23 939.15 o
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0 2 4 10865.71 13296.68 239.78 o
2 2 4 12869.48 13088.32 454.23 o
-1 3 4 177584.56 156304.59 2701.70 o
1 3 4 168828.27 150660.89 2957.57 o
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0 4 4 52451.13 54119.19 1411.83 o
4 4 4 36701.64 32804.94 1337.23 o
0 1 5 1168.45 1512.01 31.46 o
-1 2 5 67286.55 69237.27 1167.90 o
1 2 5 64885.55 66480.75 1250.48 o
-2 3 5 231111.78 218312.50 3823.63 o
0 3 5 37838.07 46503.83 827.61 o
2 3 5 235341.20 218323.72 4416.70 o
-3 4 5 128221.92 127000.02 1980.64 o
-1 4 5 26297.47 25047.07 389.04 o
1 4 5 24147.38 22796.61 456.35 o
3 4 5 133599.95 131444.53 2159.92 o
-2 5 5 10126.07 9312.52 225.59 o
2 5 5 10872.82 9685.17 312.38 o
-1 1 6 172093.92 141678.22 2704.02 o
1 1 6 174150.11 144693.19 3236.48 o
0 2 6 112658.02 102585.31 1743.13 o
-3 3 6 3371.09 2981.18 128.41 o
-1 3 6 51445.96 41473.25 689.52 o
1 3 6 53923.94 43751.26 835.45 o
3 3 6 4146.21 3922.01 158.71 o
-2 4 6 46551.02 41722.51 683.43 o
0 4 6 7064.51 8053.39 156.26 o
2 4 6 45288.46 40272.02 895.64 o
-5 5 6 24944.43 28066.40 586.10 o
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1 5 6 54918.14 60032.76 1087.24 o
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0 6 6 405415.28 407300.22 9447.48 o
4 6 6 190832.31 185167.33 4392.75 o
0 1 7 11558.14 10582.30 162.42 o
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1 2 7 20215.11 19172.62 376.86 o
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0 3 7 70107.71 61020.84 988.54 o
2 3 7 8312.65 8203.34 194.58 o
-3 4 7 49014.50 45272.27 647.39 o
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1 4 7 101500.45 92644.27 1656.74 o
3 4 7 48365.17 44171.55 2677.33 o
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0 5 7 13085.83 15452.64 273.62 o
2 5 7 105616.47 92568.34 1819.38 o
4 5 7 91592.99 88006.66 1341.48 o
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1 6 7 23303.80 22928.95 415.49 o
3 6 7 2217.92 1905.04 75.58 o
5 6 7 46851.56 46576.24 697.24 o
-6 7 7 28918.82 29363.28 577.78 o
-2 7 7 41369.89 41304.77 839.79 o
2 7 7 40598.53 41227.94 1522.24 o
6 7 7 29542.90 29838.22 635.53 o
0 0 8 2541.38 2870.97 110.14 o
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0 2 8 1906.13 2136.82 51.06 o
2 2 8 96594.60 92397.10 2280.64 o
-1 3 8 49960.12 48287.54 749.74 o
1 3 8 49799.50 48773.32 736.78 o
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0 4 8 6756.34 6153.04 116.00 o
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1 5 8 47480.35 44789.19 773.85 o
3 5 8 88112.98 87259.43 1493.71 o
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0 6 8 1511.12 1591.00 53.39 o
2 6 8 80932.91 80907.52 1464.72 o
4 6 8 1006.56 1181.68 47.37 o
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1 7 8 120986.59 123651.15 1998.54 o
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5 7 8 43687.87 43802.83 709.08 o
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0 8 8 10906.51 10899.77 263.43 o
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0 1 9 15981.15 16105.72 234.51 o
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1 2 9 14551.97 14138.99 243.39 o
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0 3 9 77120.33 78784.85 1140.67 o
2 3 9 13444.06 14826.97 305.13 o
-3 4 9 40128.17 40880.34 532.22 o
-1 4 9 23972.50 20737.44 330.83 o
1 4 9 26489.89 23764.88 370.79 o
3 4 9 38852.03 38120.98 787.71 o
-4 5 9 17139.82 17914.16 268.54 o
-2 5 9 21165.42 18727.33 277.10 o
0 5 9 15337.21 12742.95 218.73 o
2 5 9 21280.45 18930.98 352.96 o
4 5 9 16807.39 16782.64 365.41 o
-5 6 9 20695.52 19670.35 294.52 o
-3 6 9 23455.20 23748.38 357.35 o
-1 6 9 8710.09 10290.22 182.61 o
1 6 9 8446.47 10171.83 188.93 o
3 6 9 23163.83 23122.94 520.30 o
5 6 9 20556.24 18575.86 367.07 o
-6 7 9 32391.31 34065.95 473.47 o
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0 7 9 11661.59 12283.48 227.69 o
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1 1 10 44167.82 44509.14 838.41 o
0 2 10 48055.51 44642.02 607.27 o
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1 3 10 15078.20 13133.94 270.56 o
3 3 10 3498.63 2756.35 134.58 o
-2 4 10 20070.04 20949.04 290.07 o
0 4 10 16463.02 16921.37 257.72 o
2 4 10 19231.26 19243.46 387.32 o
-5 5 10 1408.31 1506.10 104.49 o
-3 5 10 9839.23 8931.65 171.45 o
-1 5 10 16982.43 18521.99 278.33 o
1 5 10 16718.21 18684.22 302.44 o
3 5 10 8885.76 8383.61 216.53 o
5 5 10 1444.42 1280.90 158.48 o
-4 6 10 121042.11 124444.84 1644.41 o
-2 6 10 2194.25 2555.48 58.33 o
0 6 10 154916.81 148414.75 2151.76 o
2 6 10 2194.28 2453.93 102.83 o
4 6 10 120818.59 119489.16 2451.32 o
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1 9 10 60.87 110.13 44.91 o
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5 9 10 13918.35 13913.48 371.62 o
7 9 10 10650.69 10376.71 220.00 o
9 9 10 14503.33 15968.73 492.40 o
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0 10 10 127892.26 132025.59 2806.88 o
4 10 10 70053.34 77021.58 2540.84 o
8 10 10 329.18 337.16 86.85 o
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-1 2 11 2710.23 2621.86 53.30 o
1 2 11 2576.16 2632.47 77.61 o
-2 3 11 24607.93 22930.18 301.17 o
0 3 11 37090.08 37366.62 485.96 o
2 3 11 25498.59 23432.73 381.92 o
-3 4 11 62168.80 60580.96 812.53 o
-1 4 11 45446.81 42935.18 516.59 o
1 4 11 45910.81 42856.23 817.16 o
3 4 11 60349.29 58492.35 1137.86 o
-4 5 11 6591.34 5579.69 100.10 o
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0 5 11 19969.54 21277.08 336.20 o
2 5 11 23833.36 23849.73 469.72 o
4 5 11 6297.64 5420.61 154.01 o
-5 6 11 16066.77 16389.96 234.84 o
-3 6 11 15128.48 13848.19 222.03 o
-1 6 11 5083.61 5298.19 102.91 o
1 6 11 5368.48 5561.12 139.27 o
3 6 11 14328.76 13542.51 351.98 o
5 6 11 15842.52 16218.15 413.49 o
-6 7 11 29203.21 27984.83 400.97 o
-4 7 11 8210.08 7684.59 135.36 o
-2 7 11 51273.53 49584.23 662.02 o
0 7 11 4536.74 5038.29 112.37 o
2 7 11 50057.61 49880.40 922.45 o
4 7 11 8346.36 7837.29 308.39 o
6 7 11 28638.96 26685.96 679.90 o
-7 8 11 9890.87 9955.04 179.34 o
-5 8 11 3306.74 3344.11 84.33 o
-3 8 11 43021.03 42853.36 670.05 o
-1 8 11 25492.46 27584.14 463.30 o
1 8 11 25594.64 28105.49 493.42 o
3 8 11 43131.61 44251.05 1002.08 o
5 8 11 3271.91 3293.32 145.30 o
7 8 11 10158.96 10258.96 238.26 o
-8 9 11 4710.30 4280.00 105.94 o
-6 9 11 13898.76 15451.64 269.80 o
-4 9 11 6069.08 6451.73 157.02 o
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0 9 11 478.86 243.09 44.85 o
2 9 11 18661.44 19868.33 463.55 o
4 9 11 6072.67 6236.58 192.13 o
6 9 11 14117.73 15738.23 375.75 o
8 9 11 4876.81 4611.48 111.96 o
-9 10 11 8334.64 7346.36 156.26 o
-7 10 11 18470.23 20260.26 384.65 o
-5 10 11 4328.38 3886.34 101.42 o
-3 10 11 3200.01 2931.94 79.77 o
-1 10 11 675.69 564.77 44.72 o
1 10 11 631.10 588.98 52.64 o
3 10 11 3491.43 3447.39 128.04 o
5 10 11 4734.60 4546.90 186.90 o
7 10 11 18686.46 20755.59 470.29 o
9 10 11 8430.85 7567.55 170.02 o
-10 11 11 13375.17 14372.93 346.08 o
-6 11 11 15368.37 15547.77 434.13 o
-2 11 11 9650.29 9528.43 300.00 o
2 11 11 10526.51 11508.91 469.71 o
6 11 11 15598.26 15680.84 596.76 o
10 11 11 12631.09 12953.69 534.22 o
0 0 12 128664.51 128923.08 4147.04 o
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0 2 12 2344.46 2049.04 49.35 o
2 2 12 66988.10 66114.53 1339.81 o
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1 3 12 24487.37 23268.88 408.66 o
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1 5 12 11261.13 11527.08 211.45 o
3 5 12 35749.86 35053.69 986.01 o
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1 7 12 60043.31 62444.23 974.28 o
3 7 12 32921.67 35397.54 966.14 o
5 7 12 17436.88 17430.14 442.19 o
-8 8 12 37848.04 41594.47 843.51 o
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-4 8 12 23664.42 25257.23 393.00 o
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0 8 12 86.55 52.70 30.63 o
2 8 12 1016.97 1124.52 74.11 o
4 8 12 23471.50 23109.42 912.32 o
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8 8 12 39124.29 43188.84 1524.90 o
-7 9 12 1358.00 875.41 53.04 o
-5 9 12 8745.73 8999.25 168.34 o
-3 9 12 22019.17 21966.65 368.32 o
-1 9 12 30090.41 33183.49 555.10 o
1 9 12 30956.38 34159.48 639.38 o
3 9 12 21784.90 22572.40 589.72 o
5 9 12 8810.15 8533.35 253.43 o
7 9 12 1588.32 1053.99 57.65 o
-10 10 12 16414.47 17245.48 517.79 o
-8 10 12 350.66 406.37 54.91 o
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-2 10 12 5024.72 4838.69 155.46 o
0 10 12 1.54 161.70 43.04 o
2 10 12 4963.80 4486.42 155.21 o
4 10 12 78.41 122.44 79.52 o
6 10 12 16855.35 18057.37 533.19 o
8 10 12 350.61 559.70 49.97 o
10 10 12 16370.92 17400.01 587.67 o
-9 11 12 673.02 629.78 66.15 o
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1 11 12 14088.92 14615.46 285.80 o
3 11 12 17644.27 18124.11 521.27 o
5 11 12 3290.28 3901.18 133.57 o
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9 11 12 808.08 588.09 49.36 o
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12 12 12 21491.56 23901.42 1418.85 o
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0 3 13 1990.73 1826.37 56.18 o
2 3 13 3168.86 3261.49 112.15 o
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-1 4 13 21934.23 22442.91 295.04 o
1 4 13 21728.33 22141.23 409.37 o
3 4 13 2840.98 3042.19 100.04 o
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0 5 13 46158.67 45123.11 643.09 o
2 5 13 40964.34 40281.82 845.13 o
4 5 13 31259.03 33311.80 829.63 o
-5 6 13 14287.93 15220.38 240.78 o
-3 6 13 1070.34 1227.60 50.64 o
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1 6 13 7935.43 7425.75 147.11 o
3 6 13 1157.29 1281.39 95.16 o
5 6 13 14354.31 15223.45 408.19 o
-6 7 13 3433.76 3462.62 80.25 o
-4 7 13 3053.45 2860.81 71.68 o
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0 7 13 212.69 323.39 41.66 o
2 7 13 12997.56 12252.75 267.62 o
4 7 13 3297.60 2917.95 147.89 o
6 7 13 3273.29 3120.18 129.62 o
-7 8 13 7150.14 7177.47 153.54 o
-5 8 13 34558.59 35677.78 566.95 o
-3 8 13 3985.33 3811.08 100.60 o
-1 8 13 23921.69 25737.72 407.49 o
1 8 13 23792.57 25340.16 497.43 o
3 8 13 3586.92 3462.41 159.37 o
5 8 13 34616.15 35171.63 1233.84 o
7 8 13 7076.19 7231.71 256.26 o
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