#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:08:24 +0300 (Sun, 03 Apr 2016) $
#$Revision: 180968 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/48/2204849.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_2204849_Fobs
loop_
_publ_author_name
'Ariyananda, W. G. Piyal'
'Norman, Richard E.'
_publ_section_title
;
Tetrakis(1,2-diaminobenzene)-\k^2^N;\k^4^N,N'-nickel(II)
dichloride
;
_journal_issue 1
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m187
_journal_page_last m189
_journal_volume 61
_journal_year 2005
_space_group_IT_number 14
_symmetry_space_group_name_Hall '-P 2ybc'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_cod_data_source_file bv6007Isup2.hkl
_cod_data_source_block I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_F_squared_calc
_refln_observed_status
1 -1 0 359.47 29.85 319.22 o
0 1 -1 12847.26 1090.03 12165.21 o
2 0 0 20.11 3.27 31.93 o
1 1 -1 3620.50 315.35 3567.91 o
0 0 2 6871.91 568.93 8600.38 o
1 0 -2 4306.20 352.09 4667.72 o
1 -1 1 844.02 83.10 943.96 o
1 0 2 617.91 49.34 686.52 o
2 -1 0 57.34 5.98 49.04 o
0 1 -2 3250.41 304.97 3564.39 o
2 1 -1 309.12 25.71 260.64 o
2 0 -2 1894.53 155.18 2069.42 o
1 1 -2 1714.61 150.47 1823.34 o
2 -1 1 143.60 12.11 156.18 o
1 -1 2 3409.20 283.42 3489.25 o
3 0 0 11222.07 1071.14 10836.72 o
2 1 -2 10749.54 917.55 10710.60 o
0 2 0 5896.18 529.83 5066.23 o
2 0 2 489.43 39.24 543.69 o
1 -2 0 13810.35 1163.13 12821.83 o
0 2 -1 4001.40 340.47 3609.56 o
3 0 -2 2025.33 178.07 2011.09 o
1 2 -1 764.62 62.85 683.73 o
3 1 -1 39.38 5.98 20.15 o
3 -1 0 541.59 45.72 506.64 o
1 1 -3 171.59 14.41 171.51 o
0 1 -3 991.76 80.21 979.48 o
1 -2 1 56.22 14.96 17.02 o
2 -1 2 992.15 82.02 1109.92 o
3 1 -2 25.88 5.64 21.40 o
3 -1 1 62.55 7.03 53.99 o
2 -2 0 5164.22 422.99 4711.31 o
2 1 -3 32283.84 2702.04 32023.77 o
0 2 -2 6141.91 614.41 6361.77 o
2 2 -1 18.37 4.73 12.85 o
1 2 -2 94.71 33.89 20.52 <
1 -1 3 17004.68 1384.42 17210.48 o
2 -2 1 307.08 25.56 253.63 o
3 0 2 621.09 52.20 546.16 o
1 -2 2 2089.35 172.50 1810.55 o
4 0 0 2641.71 253.27 2358.09 o
2 2 -2 24454.09 2817.61 21943.09 o
1 0 -4 1881.49 150.61 1849.69 o
0 0 4 32.77 4.31 30.96 o
4 0 -2 1593.52 145.09 1507.45 o
3 1 -3 6993.77 566.18 7290.71 o
3 -1 2 70.56 7.51 54.26 o
2 0 -4 287.83 23.39 292.30 o
4 1 -1 54.13 11.83 46.68 o
2 -1 3 7377.70 613.70 7725.09 o
4 -1 0 79.53 10.72 63.05 o
3 2 -1 3457.31 286.21 3285.57 o
3 -2 0 7148.77 594.39 7282.59 o
1 1 -4 2275.11 191.53 2471.98 o
1 2 -3 133.27 11.97 69.98 o
0 2 -3 5221.00 451.28 5187.02 o
2 -2 2 36.67 8.14 10.23 o
0 1 -4 1356.61 121.35 1472.05 o
1 0 4 416.13 33.78 425.35 o
4 1 -2 1504.92 144.10 1510.26 o
2 1 -4 4159.28 342.73 4260.08 o
3 2 -2 8076.44 677.46 7810.11 o
3 -2 1 -0.63 4.73 2.23 <
2 2 -3 3267.30 292.50 3280.57 o
4 -1 1 903.93 74.75 876.14 o
1 -2 3 357.21 30.99 314.11 o
3 0 -4 2023.36 163.92 2094.44 o
1 -1 4 606.31 49.75 647.24 o
1 -3 0 241.47 25.13 213.11 o
0 3 -1 118.37 12.32 83.38 o
4 0 2 49.26 6.68 32.70 o
1 3 -1 128.32 15.94 121.82 o
4 1 -3 760.19 63.56 809.57 o
3 1 -4 3815.67 315.05 3802.87 o
2 0 4 1868.11 154.02 2092.92 o
1 -3 1 374.47 30.92 304.64 o
3 -1 3 10463.70 872.62 11270.94 o
3 2 -3 371.19 30.78 366.99 o
5 0 0 6837.38 653.19 6470.27 o
3 -2 2 0.63 3.76 3.24 <
4 2 -1 2.23 9.60 2.14 <
2 -2 3 6.54 5.22 3.23 <
5 0 -2 480.98 44.78 561.95 o
4 -2 0 11365.35 931.39 11419.60 o
2 -3 0 48.15 6.26 53.22 o
4 -1 2 653.54 53.72 611.52 o
0 3 -2 2213.68 243.00 2080.54 o
2 3 -1 58.58 8.00 58.30 o
1 2 -4 71.04 10.09 64.21 o
1 3 -2 427.57 35.65 392.35 o
2 -1 4 555.86 48.13 630.76 o
5 1 -1 227.60 20.74 191.48 o
0 2 -4 288.62 27.78 269.54 o
4 2 -2 1725.95 145.48 1948.55 o
4 0 -4 115.23 11.34 94.09 o
2 -3 1 0.35 4.17 4.06 <
5 -1 0 1075.69 92.40 1003.56 o
2 2 -4 6.68 4.94 3.03 <
1 -3 2 2001.33 169.95 2088.28 o
5 1 -2 138.48 14.20 127.21 o
1 1 -5 2034.60 165.69 2321.33 o
4 -2 1 513.58 44.57 463.87 o
2 3 -2 885.53 81.41 824.82 o
0 1 -5 577.86 46.74 749.81 o
1 -2 4 101.31 8.84 110.04 o
2 1 -5 1411.28 114.93 1586.22 o
4 1 -4 234.63 28.05 254.71 o
5 -1 1 3388.88 289.75 3363.97 o
3 0 4 5650.58 463.40 5666.95 o
3 3 -1 1422.72 118.28 1388.36 o
3 -3 0 1142.43 92.75 1098.69 o
4 2 -3 67.98 8.56 46.57 o
3 2 -4 1571.32 130.66 1438.64 o
1 3 -3 4029.57 375.15 4120.44 o
0 3 -3 3653.61 304.25 3921.31 o
5 1 -3 2892.27 241.54 2983.99 o
2 -3 2 170.43 14.82 169.84 o
3 -2 3 353.18 30.77 357.88 o
1 -1 5 1920.78 165.47 2145.89 o
3 1 -5 441.81 36.77 544.10 o
4 -1 3 6487.51 547.75 6896.98 o
3 3 -2 772.31 63.90 826.54 o
3 -3 1 3091.11 250.21 3148.97 o
4 -2 2 76.05 9.39 87.77 o
2 3 -3 6002.53 530.35 6172.50 o
3 -1 4 1035.41 85.05 1101.52 o
5 0 2 1032.54 84.49 975.50 o
1 -3 3 1772.07 145.08 1947.51 o
2 -2 4 51.21 10.23 57.46 o
5 2 -1 1922.85 165.45 1803.95 o
5 0 -4 389.53 32.65 409.42 o
5 -2 0 4503.93 376.86 4691.39 o
5 2 -2 2993.04 255.01 3154.77 o
1 2 -5 2569.23 218.29 2637.15 o
5 -1 2 80.02 9.05 86.94 o
6 0 -2 3139.96 276.62 3130.94 o
6 0 0 60.53 9.39 16.97 o
0 2 -5 1501.68 148.19 1440.71 o
2 2 -5 1513.71 124.54 1467.21 o
4 2 -4 53.36 6.75 52.65 o
2 -1 5 2738.97 222.61 2977.26 o
3 3 -3 15936.45 1335.05 15075.32 o
5 1 -4 53.85 6.33 41.22 o
1 0 -6 5583.72 455.07 6367.82 o
3 -3 2 117.32 10.92 125.76 o
4 3 -1 2781.97 230.31 2722.36 o
6 1 -1 782.14 70.09 657.30 o
4 1 -5 3922.36 324.66 4311.69 o
2 -3 3 4256.32 342.95 4529.41 o
5 -2 1 811.58 68.28 818.73 o
4 -3 0 4032.14 326.40 3771.91 o
2 0 -6 3523.44 286.16 3706.31 o
1 3 -4 991.95 85.80 1009.71 o
6 1 -2 1014.78 88.80 853.05 o
0 0 6 4327.63 353.28 4835.47 o
0 4 0 6039.24 556.67 5295.87 o
6 -1 0 395.02 33.77 354.20 o
5 2 -3 473.41 40.45 503.16 o
0 3 -4 2224.80 194.00 2225.80 o
4 3 -2 8.00 5.15 15.79 <
1 -2 5 342.91 31.39 328.58 o
4 0 4 11.76 4.87 36.52 <
1 1 -6 6.68 3.90 15.76 <
1 -4 0 3059.98 258.30 3057.68 o
3 2 -5 164.93 14.61 137.70 o
0 4 -1 71.80 9.11 62.10 o
2 3 -4 1230.88 106.33 1227.86 o
4 -2 3 934.87 76.31 869.88 o
2 1 -6 9.32 4.45 4.67 <
1 4 -1 576.56 47.98 546.60 o
3 -2 4 1637.46 133.20 1676.98 o
4 -3 1 2328.12 186.54 2370.88 o
3 0 -6 397.87 33.21 440.86 o
0 1 -6 58.37 12.52 55.75 o
1 -4 1 510.06 43.59 405.43 o
1 -3 4 668.66 55.16 676.11 o
6 1 -3 3891.57 336.28 4067.50 o
4 -1 4 1943.64 157.78 1907.36 o
1 0 6 6811.26 544.50 7639.12 o
6 -1 1 461.75 39.34 564.20 o
2 -4 0 3313.87 274.81 3399.57 o
4 3 -3 3987.33 332.51 3937.52 o
5 -1 3 4245.19 355.72 4726.17 o
5 -2 2 337.33 29.10 338.34 o
0 4 -2 116.62 22.06 123.16 o
2 4 -1 250.00 21.44 247.60 o
3 1 -6 760.99 61.86 739.23 o
1 4 -2 2306.74 188.32 2209.30 o
3 3 -4 47.17 7.24 64.75 o
3 -3 3 4853.32 390.59 5084.31 o
3 -1 5 1497.90 120.95 1578.46 o
1 -1 6 180.58 15.59 183.76 o
6 0 -4 53.02 7.31 38.40 o
2 -2 5 225.84 24.29 223.19 o
5 2 -4 11.90 10.92 13.33 <
2 -4 1 1520.95 124.30 1494.33 o
6 2 -1 15.24 6.61 18.05 <
5 1 -5 7124.90 608.36 7319.19 o
1 -4 2 31.59 6.33 3.52 o
4 2 -5 2109.91 172.88 2072.08 o
6 0 2 52.25 9.95 34.30 o
4 -3 2 151.00 20.04 164.31 o
4 0 -6 2864.00 234.27 2967.73 o
2 4 -2 2332.15 198.30 2193.93 o
6 2 -2 6650.22 551.01 6560.78 o
6 -2 0 2920.54 247.08 3116.90 o
2 -3 4 115.02 10.85 95.56 o
5 3 -1 130.05 19.00 136.56 o
6 1 -4 -1.53 5.84 7.08 <
1 2 -6 6411.59 522.99 6740.15 o
5 -3 0 -8.00 10.43 3.54 <
2 0 6 9700.31 792.45 9879.05 o
5 3 -2 341.49 29.72 337.33 o
6 -1 2 2572.50 219.39 2345.19 o
1 3 -5 7146.65 941.49 7496.70 o
2 2 -6 2103.07 172.58 2243.72 o
3 4 -1 603.76 50.56 623.69 o
3 -4 0 3448.13 275.96 3428.99 o
4 1 -6 130.40 14.13 145.11 o
1 4 -3 316.91 26.59 310.02 o
0 2 -6 3200.73 320.32 3452.20 o
7 0 -2 5639.89 504.33 5484.95 o
0 4 -3 343.86 30.21 247.85 o
0 3 -5 3618.87 304.16 3600.58 o
2 -4 2 2558.21 207.15 2449.37 o
6 2 -3 862.06 73.29 836.41 o
2 3 -5 42.93 36.66 5.08 <
4 3 -4 466.88 39.48 386.11 o
4 -2 4 1681.60 137.36 1634.33 o
6 -2 1 577.75 50.48 518.01 o
7 0 0 304.09 29.30 379.54 o
2 -1 6 713.35 58.57 682.49 o
3 4 -2 1925.37 157.23 2016.89 o
5 -3 1 1431.50 116.52 1609.49 o
5 0 4 1015.15 83.27 1162.97 o
3 -4 1 590.64 48.33 563.95 o
2 4 -3 1125.59 92.77 1026.86 o
7 1 -1 22.89 7.17 18.45 o
5 -2 3 18.78 5.64 28.10 o
3 2 -6 105.41 12.11 106.31 o
1 -4 3 735.09 62.76 654.39 o
7 1 -2 520.60 59.67 465.33 o
5 3 -3 1196.58 101.35 1218.91 o
3 -2 5 11.41 13.01 17.00 <
1 -3 5 260.78 24.08 331.81 o
1 -2 6 8589.80 709.99 9320.33 o
7 -1 0 31.79 8.28 20.46 o
3 3 -5 905.34 75.59 961.22 o
5 2 -5 43.20 7.17 40.26 o
4 -3 3 3537.58 290.55 3867.16 o
5 0 -6 2714.29 238.39 3040.05 o
5 -1 4 289.88 25.54 287.33 o
3 -3 4 1318.15 107.01 1304.35 o
4 -1 5 24.14 8.90 25.43 <
1 1 -7 8.49 4.38 13.35 <
7 1 -3 6569.06 582.82 6480.84 o
2 1 -7 391.42 32.37 356.55 o
6 2 -4 1438.00 119.02 1355.29 o
3 4 -3 4.59 5.43 3.28 <
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3 -4 2 121.84 12.73 127.76 o
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2 -4 3 166.80 24.91 164.75 o
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1 4 -4 109.45 12.18 116.82 o
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0 4 -4 694.47 56.62 678.28 o
3 1 -7 101.17 10.30 98.06 o
4 4 -2 2701.83 220.19 2649.39 o
2 -3 5 360.63 30.97 443.66 o
5 3 -4 2.02 16.97 20.15 <
2 -2 6 1991.21 162.24 2210.07 o
2 4 -4 44.60 6.75 46.20 o
6 3 -1 59.35 8.91 49.91 o
3 -1 6 108.68 13.71 113.28 o
4 3 -5 7606.13 630.10 7388.22 o
4 -4 1 10.50 5.36 27.50 <
7 2 -1 571.99 50.06 521.01 o
6 3 -2 -12.66 7.86 0.08 <
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6 -3 0 526.42 44.21 422.40 o
7 1 -4 104.23 11.97 103.14 o
1 -4 4 350.18 30.28 372.54 o
1 -1 7 691.94 57.31 670.45 o
1 3 -6 50.44 9.67 27.34 o
7 0 2 367.86 30.97 345.56 o
7 -2 0 2142.19 193.81 2133.27 o
5 -2 4 107.36 11.27 142.92 o
2 3 -6 1483.10 128.01 1530.51 o
4 4 -3 727.48 61.77 726.79 o
4 -2 5 132.83 12.87 155.20 o
4 1 -7 59.07 7.51 54.85 o
0 3 -6 198.67 23.66 151.00 o
3 4 -4 144.38 14.19 121.74 o
1 2 -7 446.57 37.24 429.23 o
7 2 -3 55.31 7.44 70.82 o
2 2 -7 27.55 4.31 27.44 o
6 3 -3 3588.64 309.32 3325.89 o
3 -4 3 899.51 73.42 887.03 o
6 0 -6 48.14 7.86 60.55 o
4 -3 4 264.04 22.62 248.65 o
6 2 -5 33.25 7.65 35.62 o
6 -3 1 3720.02 306.64 3640.32 o
7 -1 2 5.70 6.68 11.55 <
1 -5 0 247.33 22.69 225.62 o
0 5 -1 864.63 72.86 786.55 o
5 2 -6 1763.10 149.12 1785.65 o
0 2 -7 183.36 38.55 182.44 o
4 -4 2 6.68 5.91 3.05 <
1 5 -1 2048.77 172.27 1903.94 o
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3 3 -6 2438.41 199.45 2423.80 o
6 0 4 1690.57 140.66 1666.18 o
8 0 -2 2231.16 208.75 2199.44 o
7 -2 1 -4.52 13.50 7.60 <
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1 -5 1 491.77 43.09 480.82 o
5 4 -1 3.34 6.68 2.72 <
3 2 -7 6.82 4.80 4.01 <
3 -3 5 390.91 42.53 374.48 o
6 1 -6 1.53 6.89 0.02 <
1 -3 6 716.16 61.84 696.70 o
4 0 6 2399.43 199.16 2743.67 o
5 -1 5 2.92 5.91 3.36 <
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7 2 -4 -2.43 6.19 2.87 <
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4 4 -4 738.46 61.63 661.08 o
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4 -1 6 5.36 11.76 1.40 <
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6 -3 2 5.50 9.60 18.71 <
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3 0 -8 7697.52 645.29 7461.69 o
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7 -2 2 6.19 13.01 3.15 <
2 1 -8 4.17 5.63 1.73 <
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1 1 -8 183.08 27.14 175.87 o
2 -3 6 15.93 6.96 15.34 <
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3 5 -2 9.74 16.07 3.30 <
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6 4 -1 39.38 9.25 40.47 o
5 2 -7 7.30 12.66 7.34 <
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5 3 -6 239.32 20.81 217.73 o
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0 3 -7 594.36 53.68 542.15 o
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6 -3 3 1539.20 124.85 1581.80 o
8 2 -3 216.69 20.39 256.58 o
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6 -4 0 1860.97 158.86 1871.27 o
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3 3 -7 293.13 25.75 281.05 o
3 5 -3 1353.08 113.24 1354.86 o
1 4 -6 1680.70 158.82 1432.97 o
1 2 -8 2079.30 170.41 2037.63 o
2 2 -8 2171.08 177.13 2112.28 o
3 -5 2 11.41 6.19 12.63 <
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3 -3 6 384.90 54.08 413.61 o
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2 4 -6 1871.88 164.29 1818.06 o
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