#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:25:23 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180782 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/13/2011334.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_2011334_Fobs
loop_
_publ_author_name
'Wieczorrek, Carsten'
_publ_section_title
;
 Tetraiodide von Tris(1,2-ethandiamin)komplexen der Metalle Zink und
 Nickel
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1079
_journal_page_last               1081
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.7420
_cell_length_b                   14.7420
_cell_length_c                   17.7910
_exptl_crystal_F_000             2752.00
_reflns_d_resolution_high        0.8354
_cod_data_source_file            jz1409Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '    znen3i4c in I -4 2 d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            980.05
_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'
'x, -y+1/2, -z+1/4'
'-x, y+1/2, -z+1/4'
'y, x+1/2, z+1/4'
'-y, -x+1/2, z+1/4'
'-y, x, -z'
'y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1, -z+3/4'
'-x+1/2, y+1, -z+3/4'
'y+1/2, x+1, z+3/4'
'-y+1/2, -x+1, z+3/4'
'-y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+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
0 2 0 37677.73 37618.60 555.03 o
2 2 0 106739.16 105269.49 2935.52 o
1 3 0 6158.80 6902.70 181.86 o
0 4 0 2575.05 3223.39 238.64 o
2 4 0 265131.44 265719.53 6107.92 o
4 4 0 146118.03 140030.73 2396.89 o
1 5 0 26813.83 27584.94 438.09 o
3 5 0 76444.39 75621.19 1131.68 o
0 6 0 6220.02 6743.14 196.70 o
2 6 0 411283.03 397404.19 10990.18 o
4 6 0 12.73 397.18 111.58 o
6 6 0 40648.09 39625.19 859.74 o
1 7 0 58940.09 61416.83 807.02 o
3 7 0 205566.73 207222.72 4999.93 o
5 7 0 98753.75 96419.84 1194.76 o
0 8 0 162978.17 167218.19 3919.78 o
2 8 0 708.18 981.83 130.26 o
4 8 0 116926.45 117033.37 2608.29 o
6 8 0 13004.22 12480.05 215.09 o
8 8 0 9454.16 10092.36 201.42 o
1 9 0 1517.66 1456.80 142.62 o
3 9 0 17993.63 17766.87 437.66 o
5 9 0 764.42 862.00 114.36 o
7 9 0 22051.80 21595.16 307.96 o
0 10 0 61564.77 61220.93 1153.82 o
2 10 0 180.46 332.16 124.65 o
4 10 0 29137.48 30311.63 694.03 o
6 10 0 83424.02 81187.06 1836.55 o
8 10 0 5655.39 5444.70 142.27 o
10 10 0 1316.26 1380.62 183.23 o
1 11 0 6235.94 6823.71 192.44 o
3 11 0 8250.37 8123.32 234.53 o
5 11 0 6605.01 6373.37 196.61 o
7 11 0 1615.90 1722.02 131.04 o
9 11 0 1559.91 1776.51 139.41 o
0 12 0 113055.74 120026.56 3826.12 o
2 12 0 8547.81 8452.12 236.38 o
4 12 0 1120.25 1385.62 139.37 o
6 12 0 488.27 590.63 127.29 o
8 12 0 20938.32 19989.29 560.63 o
10 12 0 13450.62 14230.12 374.15 o
12 12 0 3016.77 2915.78 246.88 o
1 13 0 7578.29 7605.71 260.19 o
3 13 0 488.65 671.57 133.55 o
5 13 0 16544.96 17430.45 536.28 o
7 13 0 28999.29 28882.20 849.16 o
9 13 0 1386.53 1161.70 148.18 o
11 13 0 37.49 22.25 167.19 o
0 14 0 14374.06 14270.20 675.69 o
2 14 0 23454.30 23842.12 604.81 o
4 14 0 10308.43 9982.59 349.50 o
6 14 0 12649.85 12833.87 415.28 o
8 14 0 1472.92 1317.35 123.79 o
10 14 0 408.46 334.54 188.77 o
1 15 0 3337.70 2952.78 149.88 o
3 15 0 2603.65 2756.41 144.42 o
5 15 0 2771.33 2864.56 151.07 o
7 15 0 1008.63 743.53 137.47 o
9 15 0 939.54 1273.95 699.79 o
0 16 0 551.32 422.06 208.43 o
2 16 0 10054.40 10096.81 371.09 o
4 16 0 1177.75 1049.13 127.84 o
6 16 0 1080.94 1130.16 146.71 o
1 17 0 258.56 247.27 169.78 o
3 17 0 786.95 589.59 141.52 o
-1 2 1 105961.14 111760.68 1813.64 o
1 2 1 107221.41 112399.21 2158.43 o
-2 3 1 268539.13 281509.81 5857.66 o
0 3 1 1366.42 1486.78 146.60 o
2 3 1 264207.31 271767.91 7009.19 o
-3 4 1 189073.86 186439.20 2460.93 o
-1 4 1 103892.66 108333.36 2333.03 o
1 4 1 108765.80 114024.70 2084.52 o
3 4 1 186891.55 181196.50 3168.14 o
-4 5 1 23264.54 23737.75 250.39 o
-2 5 1 26300.53 25962.80 453.24 o
0 5 1 160723.53 163467.59 2457.96 o
2 5 1 26646.31 26237.51 532.30 o
4 5 1 23580.50 23784.13 362.02 o
-5 6 1 14079.09 13719.10 164.89 o
-3 6 1 73285.26 75255.50 1238.41 o
-1 6 1 40906.50 39488.65 581.67 o
1 6 1 38986.32 36972.23 609.49 o
3 6 1 74056.06 75664.01 1540.99 o
5 6 1 14970.11 14738.38 234.61 o
-6 7 1 16567.19 15879.74 220.01 o
-4 7 1 108806.32 107967.25 1708.79 o
-2 7 1 10945.27 11114.63 204.93 o
0 7 1 86800.17 91230.27 1125.17 o
2 7 1 11274.08 10981.05 181.83 o
4 7 1 111751.01 111486.38 1954.27 o
6 7 1 17719.82 17192.77 243.85 o
-7 8 1 38774.40 37478.55 566.03 o
-5 8 1 19488.72 18906.16 323.65 o
-3 8 1 20776.32 21251.96 491.76 o
-1 8 1 24403.60 25125.47 360.53 o
1 8 1 23906.50 24358.55 405.19 o
3 8 1 20075.29 20663.28 510.03 o
5 8 1 20919.80 20437.60 382.61 o
7 8 1 38054.52 37139.51 585.07 o
-8 9 1 5391.56 5574.14 153.61 o
-6 9 1 96268.45 94729.98 1274.14 o
-4 9 1 5015.12 5071.01 148.46 o
-2 9 1 65047.47 66318.14 1322.46 o
0 9 1 86774.19 88228.24 1331.97 o
2 9 1 63130.01 63491.16 1181.96 o
4 9 1 4978.97 5332.46 159.46 o
6 9 1 97429.67 96503.89 1579.24 o
8 9 1 5151.67 5174.72 145.46 o
-9 10 1 6653.84 6710.36 137.39 o
-7 10 1 7509.05 7588.46 157.80 o
-5 10 1 27901.68 27243.72 823.52 o
-3 10 1 41174.60 41544.08 964.42 o
-1 10 1 49537.56 49632.78 864.93 o
1 10 1 51237.17 50625.83 861.82 o
3 10 1 40271.13 40752.53 1075.17 o
5 10 1 27130.92 26940.71 691.76 o
7 10 1 7298.73 7378.56 149.87 o
9 10 1 6945.61 6982.15 150.20 o
-10 11 1 8431.29 7999.83 215.21 o
-8 11 1 3911.99 3907.56 128.03 o
-6 11 1 278.39 273.32 144.65 o
-4 11 1 980.59 859.32 114.24 o
-2 11 1 20272.11 20145.41 422.34 o
0 11 1 24589.00 23783.44 536.51 o
2 11 1 19708.05 19241.77 460.68 o
4 11 1 986.15 851.38 134.15 o
6 11 1 256.46 435.69 136.33 o
8 11 1 3594.59 3576.51 161.54 o
10 11 1 8849.66 8596.21 244.72 o
-11 12 1 7920.19 8024.65 194.09 o
-9 12 1 5468.41 5750.88 181.15 o
-7 12 1 8333.31 8245.13 193.35 o
-5 12 1 15542.76 15706.50 495.35 o
-3 12 1 27367.47 27421.73 710.78 o
-1 12 1 12148.15 12892.47 258.97 o
1 12 1 12069.21 12843.29 337.38 o
3 12 1 26347.79 26385.99 612.91 o
5 12 1 16717.24 16888.83 497.15 o
7 12 1 8726.34 8967.69 239.14 o
9 12 1 5502.78 5881.40 173.27 o
11 12 1 7769.75 7809.71 225.12 o
-10 13 1 2089.44 1818.44 146.24 o
-8 13 1 3913.91 3829.63 157.02 o
-6 13 1 2656.47 2861.66 146.57 o
-4 13 1 10195.61 9836.12 268.65 o
-2 13 1 4847.86 4928.24 144.02 o
0 13 1 4813.32 4835.36 202.03 o
2 13 1 5301.79 5522.81 170.40 o
4 13 1 10651.26 10235.68 285.66 o
6 13 1 2711.75 2720.52 130.93 o
8 13 1 3820.89 3869.02 156.43 o
10 13 1 1979.37 1867.26 181.61 o
-9 14 1 11287.25 11103.41 439.47 o
-7 14 1 1062.93 1179.21 141.17 o
-5 14 1 97.72 309.67 153.27 o
-3 14 1 10205.10 10499.55 295.20 o
-1 14 1 2700.28 2510.26 130.95 o
1 14 1 2263.20 2458.95 141.16 o
3 14 1 10491.08 10621.04 298.88 o
5 14 1 64.55 22.76 152.49 o
7 14 1 1221.64 1398.27 132.16 o
9 14 1 11382.62 10601.96 533.64 o
-8 15 1 4652.96 4658.03 189.01 o
-6 15 1 1233.03 1087.60 142.82 o
-4 15 1 22053.19 22884.68 645.04 o
-2 15 1 5731.11 5928.19 177.34 o
0 15 1 1078.16 1008.39 148.13 o
2 15 1 5457.50 5529.37 161.59 o
4 15 1 22133.28 23028.07 692.49 o
6 15 1 1271.85 1190.54 131.86 o
8 15 1 4485.51 4302.40 205.40 o
-7 16 1 2763.64 3645.65 333.45 o
-5 16 1 208.16 200.18 140.78 o
-3 16 1 10024.88 10283.21 296.50 o
-1 16 1 291.43 317.09 138.93 o
1 16 1 328.58 448.41 152.20 o
3 16 1 9965.03 10137.49 265.95 o
5 16 1 218.95 95.78 153.02 o
7 16 1 2810.73 2379.87 705.51 o
-4 17 1 788.86 745.32 256.03 o
-2 17 1 1951.69 1740.09 174.93 o
0 17 1 873.61 684.00 158.09 o
2 17 1 1845.78 1445.92 171.06 o
4 17 1 727.88 881.89 529.50 o
-1 1 2 24994.44 27106.48 669.70 o
1 1 2 24490.48 26376.23 1260.87 o
0 2 2 2209.19 2343.85 156.80 o
-3 3 2 246269.39 245048.70 6902.56 o
-1 3 2 190027.70 202566.63 5017.02 o
1 3 2 188573.98 200231.08 5657.49 o
3 3 2 243596.56 246310.77 12496.52 o
-2 4 2 18113.84 18655.50 240.86 o
0 4 2 69076.50 75578.96 1246.80 o
2 4 2 17642.80 18416.49 298.47 o
-5 5 2 11689.86 12294.12 211.02 o
-3 5 2 9523.33 8892.80 135.91 o
-1 5 2 46503.86 45806.76 742.46 o
1 5 2 45475.77 43324.89 653.27 o
3 5 2 8357.14 8009.96 142.39 o
5 5 2 11528.56 11915.17 341.15 o
-4 6 2 216840.95 217971.06 3272.93 o
-2 6 2 10181.93 10518.16 183.61 o
0 6 2 270166.19 264098.88 6718.98 o
2 6 2 9750.86 10081.02 244.86 o
4 6 2 215338.20 216323.14 3584.29 o
-7 7 2 34332.19 33935.94 463.55 o
-5 7 2 32597.24 32006.54 453.84 o
-3 7 2 23079.57 23113.58 498.33 o
-1 7 2 15284.54 15782.69 306.53 o
1 7 2 15466.10 15724.57 257.52 o
3 7 2 23459.38 23882.86 509.01 o
5 7 2 33277.18 33418.57 532.77 o
7 7 2 35748.25 34565.16 852.19 o
-6 8 2 5245.65 5278.59 125.52 o
-4 8 2 18147.03 17392.77 329.84 o
-2 8 2 1635.34 1722.81 132.24 o
0 8 2 81831.43 80801.76 1264.19 o
2 8 2 1728.53 1670.24 138.82 o
4 8 2 18709.27 17580.69 420.51 o
6 8 2 5042.31 5116.04 140.83 o
-9 9 2 355.65 721.76 184.70 o
-7 9 2 141.77 353.47 109.83 o
-5 9 2 3239.95 3380.71 131.88 o
-3 9 2 32368.75 32530.77 818.77 o
-1 9 2 33988.66 34141.68 762.37 o
1 9 2 33209.68 32858.16 546.10 o
3 9 2 32016.34 32777.40 761.72 o
5 9 2 3368.44 3519.85 137.48 o
7 9 2 145.30 353.31 113.37 o
9 9 2 165.49 177.37 185.94 o
-8 10 2 17188.42 17649.93 337.25 o
-6 10 2 62874.93 61653.57 1373.44 o
-4 10 2 19640.42 19632.45 474.30 o
-2 10 2 5597.48 5910.55 164.14 o
0 10 2 1470.95 1633.10 126.45 o
2 10 2 5053.31 5136.41 133.48 o
4 10 2 18956.73 19302.75 372.75 o
6 10 2 62251.00 61085.38 1614.38 o
8 10 2 16962.56 17899.46 335.24 o
-11 11 2 4692.01 4824.14 224.80 o
-9 11 2 10294.98 10113.37 253.31 o
-7 11 2 12077.42 12000.42 234.22 o
-5 11 2 2919.51 2982.12 139.43 o
-3 11 2 51131.32 50467.04 1356.46 o
-1 11 2 12947.95 12755.21 343.71 o
1 11 2 12673.75 12025.05 315.44 o
3 11 2 51040.60 51585.32 1337.46 o
5 11 2 3062.98 3249.50 138.50 o
7 11 2 12069.79 12240.41 245.71 o
9 11 2 9928.16 9964.65 244.15 o
11 11 2 4493.67 4890.90 257.45 o
-10 12 2 546.06 709.97 138.98 o
-8 12 2 23.56 157.05 113.69 o
-6 12 2 2089.68 2203.59 120.10 o
-4 12 2 2001.33 1925.36 137.93 o
-2 12 2 71.09 448.32 200.80 o
0 12 2 2194.95 2186.84 148.04 o
2 12 2 165.87 274.86 166.60 o
4 12 2 2107.49 1996.45 148.92 o
6 12 2 2053.57 2649.88 135.20 o
8 12 2 24.33 81.64 125.03 o
10 12 2 535.02 771.97 142.15 o
-11 13 2 2.69 -10.78 169.10 o
-9 13 2 25.70 86.50 145.71 o
-7 13 2 1382.90 1366.89 135.70 o
-5 13 2 146.40 105.30 114.31 o
-3 13 2 5353.69 5472.97 151.64 o
-1 13 2 36023.64 36232.64 836.78 o
1 13 2 36215.60 36182.92 839.95 o
3 13 2 5287.13 5208.61 131.92 o
5 13 2 150.54 282.62 113.55 o
7 13 2 1414.53 1392.78 147.10 o
9 13 2 21.63 29.30 152.19 o
11 13 2 2.48 51.00 159.61 o
-10 14 2 341.97 171.39 155.83 o
-8 14 2 3534.09 3421.27 162.55 o
-6 14 2 2178.51 2241.06 154.43 o
-4 14 2 1342.01 1444.63 134.42 o
-2 14 2 4924.86 5231.62 214.92 o
0 14 2 344.19 344.18 123.37 o
2 14 2 5272.09 5548.68 184.28 o
4 14 2 1254.78 1363.72 131.25 o
6 14 2 2089.77 2230.89 152.17 o
8 14 2 3532.13 3418.30 169.70 o
10 14 2 332.85 188.77 163.26 o
-7 15 2 2205.06 1544.95 203.57 o
-5 15 2 751.87 966.43 135.01 o
-3 15 2 619.72 693.31 152.91 o
-1 15 2 714.89 695.30 140.14 o
1 15 2 708.43 770.20 145.33 o
3 15 2 653.05 673.92 152.95 o
5 15 2 726.28 822.21 149.00 o
7 15 2 2263.84 1741.53 147.28 o
-6 16 2 5186.60 4939.25 166.95 o
-4 16 2 6977.72 6481.03 249.08 o
-2 16 2 665.35 664.68 138.17 o
0 16 2 7794.45 9009.49 262.11 o
2 16 2 721.91 780.03 139.71 o
4 16 2 7170.35 6819.03 191.86 o
6 16 2 5138.80 5023.93 219.50 o
-3 17 2 1280.85 946.70 175.03 o
-1 17 2 9049.54 9097.74 192.58 o
1 17 2 9169.15 9282.04 306.97 o
3 17 2 1354.91 1058.23 172.31 o
0 1 3 25860.57 25755.26 240.40 o
-1 2 3 140062.38 145723.39 2322.37 o
1 2 3 139721.48 147484.75 4918.94 o
-2 3 3 284321.53 282066.91 5751.84 o
0 3 3 6610.41 7424.80 186.13 o
2 3 3 286934.22 289974.84 9415.97 o
-3 4 3 283870.44 268758.84 5388.18 o
-1 4 3 161124.83 165839.55 3589.14 o
1 4 3 160311.98 168773.58 4550.06 o
3 4 3 285573.13 281237.66 7790.94 o
-4 5 3 4914.42 4954.47 148.86 o
-2 5 3 35905.81 35171.57 427.04 o
0 5 3 272737.69 274254.75 9213.81 o
2 5 3 37652.18 37382.61 728.54 o
4 5 3 4918.02 5067.44 152.85 o
-5 6 3 12094.78 11870.46 156.64 o
-3 6 3 49764.90 49251.27 741.66 o
-1 6 3 69281.34 68281.84 1468.00 o
1 6 3 69421.18 67157.60 933.53 o
3 6 3 50757.26 51217.40 1130.66 o
5 6 3 11966.23 11679.78 203.65 o
-6 7 3 12811.65 12499.94 179.80 o
-4 7 3 98494.38 96318.49 1505.21 o
-2 7 3 10328.88 10532.75 223.49 o
0 7 3 44133.31 45268.06 993.16 o
2 7 3 9609.39 9743.87 199.31 o
4 7 3 96871.43 95531.52 1670.98 o
6 7 3 12296.36 12046.04 234.27 o
-7 8 3 37143.45 36560.04 531.33 o
-5 8 3 26150.61 25796.28 436.29 o
-3 8 3 11002.36 11076.10 212.27 o
-1 8 3 23268.58 23787.53 562.11 o
1 8 3 23634.87 24039.83 484.85 o
3 8 3 10671.23 11045.56 237.09 o
5 8 3 25189.61 25355.59 570.59 o
7 8 3 38267.04 38147.29 677.99 o
-8 9 3 6761.12 6239.87 141.24 o
-6 9 3 82679.98 80224.35 1242.57 o
-4 9 3 5128.61 5192.52 134.95 o
-2 9 3 49187.26 49223.36 957.39 o
0 9 3 95366.68 96495.25 2037.98 o
2 9 3 49414.82 48954.55 924.09 o
4 9 3 5355.38 5550.41 145.04 o
6 9 3 82488.46 81533.30 1690.99 o
8 9 3 7144.65 6994.16 165.78 o
-9 10 3 6406.86 6364.13 157.16 o
-7 10 3 7268.91 7129.44 172.21 o
-5 10 3 17433.23 17342.06 397.79 o
-3 10 3 31230.41 30791.80 676.11 o
-1 10 3 43478.97 43322.11 916.56 o
1 10 3 44666.10 43897.20 939.08 o
3 10 3 30791.61 31174.54 809.37 o
5 10 3 17312.48 17425.08 524.66 o
7 10 3 7409.06 7911.50 211.07 o
9 10 3 6233.41 6374.89 127.96 o
-10 11 3 10569.14 10207.03 267.98 o
-8 11 3 6471.49 6200.86 132.37 o
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0 11 3 24809.54 23435.80 534.35 o
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10 11 3 10349.27 10281.99 220.36 o
-11 12 3 5254.57 5109.20 175.67 o
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-7 12 3 10561.72 10261.04 252.09 o
-5 12 3 20183.49 19619.51 557.30 o
-3 12 3 26353.40 26219.06 732.85 o
-1 12 3 7858.67 8449.01 191.18 o
1 12 3 7566.52 7932.04 200.59 o
3 12 3 26793.96 26904.06 758.34 o
5 12 3 19628.89 19730.73 644.11 o
7 12 3 10447.06 10410.34 277.86 o
9 12 3 3161.39 3359.14 155.34 o
11 12 3 5092.37 5241.75 199.10 o
-10 13 3 2188.09 1749.65 151.17 o
-8 13 3 1972.18 1816.07 160.53 o
-6 13 3 2265.57 2445.21 129.30 o
-4 13 3 8586.90 8471.80 251.72 o
-2 13 3 5114.85 5200.98 148.76 o
0 13 3 2958.73 3095.55 144.39 o
2 13 3 4776.35 4634.89 147.43 o
4 13 3 7901.90 7901.61 265.77 o
6 13 3 2010.11 2206.26 132.89 o
8 13 3 2063.70 2202.14 155.63 o
10 13 3 2151.16 1715.29 145.04 o
-9 14 3 9134.58 9481.73 265.18 o
-7 14 3 1411.69 1322.21 133.59 o
-5 14 3 637.90 637.29 145.18 o
-3 14 3 9560.02 9698.25 283.16 o
-1 14 3 1943.09 1867.99 135.03 o
1 14 3 2075.06 2036.60 127.79 o
3 14 3 9458.81 9972.14 260.72 o
5 14 3 699.64 878.86 157.06 o
7 14 3 1356.76 1233.56 132.85 o
9 14 3 9406.17 10029.03 303.10 o
-8 15 3 3064.14 2663.04 172.48 o
-6 15 3 485.97 555.87 129.01 o
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