#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/21/2102191.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_2102191_Fobs
loop_
_publ_author_name
'Cole, Jacqueline M.'
'Wilson, Chick C.'
'Howard, Judith A. K.'
'Cruickshank, Frank R.'
_publ_section_title
;
 Quantitative analysis of hydrogen bonding and atomic thermal motion in
 the organic non-linear optical material DCNP using X-ray and neutron
 diffraction
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1085
_journal_page_last               1093
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_exptl_crystal_F_000             388.00
_[local]_cod_data_source_file    ha0196100Ndcnpsup6.hkl
_[local]_cod_data_source_block   100Ndcnp
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' dcnp in Cc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            386.76
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
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1 23 -27 0.09 13636.69 5609.69 o
2 6 -15 3295.97 4066.92 483.88 o
2 2 -13 2375.53 3618.65 598.05 o
4 2 -13 1829.90 3132.67 473.41 o
3 3 -13 5867.27 6695.80 513.21 o
2 4 -13 2762.25 3951.71 1773.19 o
4 4 -13 2286.67 3599.79 522.64 o
3 5 -13 2909.88 3880.49 488.07 o
1 7 -13 1422.25 2591.18 639.94 o
1 3 -12 3058.28 2787.04 267.08 o
3 3 -12 1578.52 2334.58 306.88 o
2 4 -12 1254.43 1582.57 203.19 o
1 5 -12 2288.84 2704.30 233.56 o
5 7 -12 3449.43 3681.49 485.98 o
2 8 -12 1556.82 1677.88 411.61 o
4 8 -12 2358.31 1995.23 252.41 o
1 13 -12 1041.33 1143.72 476.55 o
7 13 -12 3437.60 6110.33 904.92 o
3 23 -12 143.78 1679.97 784.48 o
1 1 -11 907.82 1848.60 239.85 o
9 1 -11 4794.22 4262.77 299.55 o
12 2 -11 2595.98 2945.19 412.66 o
1 3 -11 875.00 892.35 188.53 o
9 3 -11 1987.03 2315.72 332.01 o
11 3 -11 2868.81 3068.78 360.29 o
12 4 -11 4008.93 3885.72 772.96 o
2 6 -11 4477.92 4632.49 225.18 o
4 6 -11 1119.44 1209.71 285.93 o
1 7 -11 2044.80 1980.57 200.05 o
2 8 -11 2985.52 3785.18 448.27 o
4 8 -11 939.82 997.09 370.77 o
1 9 -11 2309.22 3201.79 259.75 o
6 12 -11 2364.06 2894.92 515.30 o
1 13 -11 2456.63 2085.30 556.15 o
4 14 -11 7969.48 8452.23 472.36 o
8 0 -10 3733.04 3498.20 268.13 o
2 2 -10 1093.09 1311.30 152.92 o
6 2 -10 4157.22 6246.48 377.05 o
8 2 -10 6497.90 7350.41 251.37 o
1 3 -10 805.71 518.45 172.82 o
9 3 -10 5211.31 7206.92 394.86 o
6 4 -10 1733.26 3055.16 356.10 o
8 4 -10 3741.77 4178.98 447.22 o
10 4 -10 2502.41 2613.18 828.47 o
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2 8 -10 1189.03 2270.69 880.83 o
6 8 -10 899.84 1721.87 332.01 o
14 8 -10 1487.15 4072.15 1793.09 o
1 9 -10 886.86 1440.13 290.12 o
2 10 -10 1021.52 1324.92 281.74 o
4 10 -10 2583.74 3892.01 645.18 o
3 11 -10 2478.11 3605.03 278.60 o
5 11 -10 1480.95 2298.97 480.74 o
2 12 -10 1244.32 1548.01 257.65 o
1 13 -10 7446.50 9704.88 424.18 o
3 13 -10 4021.87 3878.39 292.21 o
1 15 -10 8095.92 8246.95 529.97 o
3 15 -10 3236.69 4010.36 562.43 o
1 1 -9 1234.55 1360.53 125.68 o
7 1 -9 710.26 683.93 120.45 o
13 1 -9 1323.20 2070.64 325.73 o
2 2 -9 4140.80 4329.81 145.58 o
6 2 -9 5549.11 6716.75 352.96 o
8 2 -9 4071.30 3616.55 162.34 o
10 2 -9 2623.29 2831.03 188.53 o
1 3 -9 4992.02 4642.97 116.26 o
3 3 -9 4638.88 4840.92 214.71 o
5 3 -9 11090.66 18667.18 589.67 o
7 3 -9 4374.14 5798.21 242.99 o
2 4 -9 1198.78 1079.83 146.63 o
4 4 -9 2261.90 2313.63 206.33 o
6 4 -9 9507.62 15459.10 565.58 o
3 5 -9 1170.95 1055.74 152.92 o
5 5 -9 2686.95 3333.76 191.67 o
7 5 -9 2461.62 4391.60 394.86 o
4 6 -9 504.58 582.33 119.40 o
10 6 -9 1548.49 2720.01 534.16 o
12 6 -9 3565.90 2983.94 455.60 o
1 7 -9 2185.23 1819.27 125.68 o
3 7 -9 1891.16 1907.25 185.38 o
11 7 -9 2539.16 5122.66 1312.35 o
2 8 -9 568.86 697.54 118.35 o
1 9 -9 902.62 911.21 184.34 o
1 11 -9 2955.87 3255.21 295.36 o
3 11 -9 1931.96 2831.03 238.80 o
2 12 -9 1931.27 2553.48 299.55 o
2 16 -9 1505.47 2043.41 422.09 o
2 0 -8 9940.88 12576.76 559.29 o
10 0 -8 5330.31 4609.45 211.57 o
12 0 -8 2647.10 3002.79 391.71 o
1 1 -8 950.19 1178.29 114.16 o
3 1 -8 5103.84 3595.60 441.99 o
5 1 -8 4346.19 4973.94 168.63 o
7 1 -8 1896.56 2077.97 101.59 o
9 1 -8 1396.65 1211.80 173.86 o
2 2 -8 13500.51 13942.52 406.38 o
6 2 -8 1209.94 1666.36 144.54 o
12 2 -8 2452.01 2607.94 182.24 o
1 3 -8 1417.44 1284.07 62.84 o
3 3 -8 13411.48 16292.81 474.46 o
5 3 -8 1464.66 2359.71 219.95 o
7 3 -8 1497.17 1751.19 179.10 o
11 3 -8 1842.72 1162.57 179.10 o
2 4 -8 7232.45 7441.53 186.43 o
4 4 -8 4845.44 5154.08 240.89 o
6 4 -8 1230.28 1760.62 200.05 o
14 4 -8 1266.56 2089.49 587.57 o
1 5 -8 2601.43 2575.47 93.22 o
3 5 -8 7787.63 6830.91 218.90 o
7 5 -8 1718.74 2633.07 280.69 o
9 5 -8 6486.71 7090.66 423.14 o
2 6 -8 805.63 1140.58 304.78 o
4 6 -8 1753.05 2551.38 125.68 o
10 6 -8 8328.17 11081.12 553.01 o
14 6 -8 1274.66 1048.41 454.56 o
3 7 -8 2883.80 2914.82 135.11 o
5 7 -8 4934.48 5433.73 149.77 o
2 8 -8 958.38 1066.22 104.74 o
4 8 -8 1621.60 1613.99 116.26 o
6 8 -8 1802.52 2126.15 155.01 o
8 8 -8 7204.30 7382.87 531.01 o
3 9 -8 764.54 691.26 107.88 o
5 9 -8 935.28 1044.22 159.20 o
6 10 -8 977.60 1460.03 191.67 o
3 11 -8 2074.59 1905.16 133.02 o
4 12 -8 1290.72 1907.25 246.13 o
1 13 -8 1299.91 1618.18 177.00 o
3 13 -8 599.11 1247.41 430.47 o
7 13 -8 3106.89 3792.51 449.32 o
9 13 -8 1291.16 1295.59 196.90 o
1 17 -8 3931.92 4470.15 436.75 o
3 17 -8 776.95 1508.21 424.18 o
6 18 -8 1313.20 2149.19 513.21 o
1 1 -7 1210.55 1256.84 68.08 o
5 1 -7 389.04 839.99 124.64 o
7 1 -7 3799.04 3267.78 164.44 o
9 1 -7 3189.50 3259.40 104.74 o
11 1 -7 636.77 856.74 139.30 o
2 2 -7 6782.87 6639.25 216.80 o
4 2 -7 3776.98 5385.55 175.96 o
6 2 -7 2335.67 2324.10 75.41 o
8 2 -7 808.01 676.60 68.08 o
10 2 -7 2846.93 2687.54 122.54 o
12 2 -7 1384.82 1151.05 226.23 o
1 3 -7 906.02 896.54 45.04 o
3 3 -7 4549.09 4660.77 179.10 o
9 3 -7 3266.22 2989.18 169.67 o
11 3 -7 911.13 1338.53 479.69 o
2 4 -7 4106.93 3527.52 120.45 o
6 4 -7 4554.67 6230.77 245.08 o
8 4 -7 2147.17 1855.93 153.96 o
12 4 -7 4217.52 4208.31 263.94 o
1 5 -7 8105.37 7488.66 163.39 o
3 5 -7 1601.56 1531.25 101.59 o
2 6 -7 1664.90 1447.46 68.08 o
4 6 -7 1377.19 1734.44 107.88 o
10 6 -7 1446.79 2026.65 235.66 o
1 7 -7 1963.56 2373.33 76.46 o
3 7 -7 8889.66 10723.97 201.09 o
5 7 -7 5800.82 5780.41 185.38 o
7 7 -7 15694.92 20821.61 711.16 o
11 7 -7 1472.75 2495.87 395.90 o
2 8 -7 5426.33 6294.66 126.73 o
4 8 -7 460.65 545.68 103.69 o
6 8 -7 1452.02 1411.85 167.58 o
8 8 -7 2102.46 2244.50 220.99 o
12 8 -7 1773.47 2055.98 318.40 o
1 9 -7 542.44 905.97 109.97 o
3 9 -7 546.70 1038.99 146.63 o
5 9 -7 5628.47 5054.58 190.62 o
7 9 -7 7459.01 6960.79 242.99 o
9 9 -7 4038.92 4023.98 471.31 o
11 9 -7 1731.83 1553.24 435.70 o
15 9 -7 1623.14 1101.83 270.22 o
2 10 -7 803.39 1131.15 77.50 o
4 10 -7 1032.18 1054.70 147.68 o
14 10 -7 5133.39 4523.57 380.19 o
1 11 -7 2612.03 2563.95 149.77 o
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5 11 -7 2398.00 1754.34 171.77 o
4 12 -7 907.81 1215.99 196.90 o
14 12 -7 2000.03 3046.78 875.60 o
3 13 -7 553.87 674.50 248.23 o
9 13 -7 1859.77 2867.68 561.39 o
2 14 -7 2288.22 2615.27 201.09 o
4 14 -7 7182.57 7657.28 308.97 o
6 14 -7 2522.36 2868.73 329.92 o
2 16 -7 1214.86 2155.48 480.74 o
4 16 -7 2177.86 2312.58 325.73 o
6 16 -7 829.33 1517.63 452.46 o
3 17 -7 1454.51 1958.57 284.88 o
4 18 -7 1771.51 2693.82 622.13 o
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4 0 -6 8878.02 9275.46 260.79 o
6 0 -6 3865.53 3919.24 166.53 o
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12 0 -6 5758.65 6178.40 219.95 o
18 0 -6 11932.71 9850.46 825.32 o
1 1 -6 4283.10 4779.13 72.27 o
7 1 -6 1008.88 1052.60 52.37 o
15 1 -6 1784.74 1995.23 273.36 o
4 2 -6 854.85 1179.33 73.32 o
6 2 -6 7405.50 6222.39 172.82 o
10 2 -6 636.25 998.14 98.45 o
18 2 -6 6186.10 4517.28 289.07 o
1 3 -6 4217.99 3608.17 72.27 o
3 3 -6 2274.93 2713.72 100.55 o
5 3 -6 1844.02 2040.27 97.40 o
7 3 -6 5800.21 4614.69 146.63 o
9 3 -6 4851.75 3870.01 193.76 o
11 3 -6 454.42 610.61 173.86 o
15 3 -6 2088.09 1823.46 371.81 o
2 4 -6 3027.13 2527.29 84.84 o
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8 4 -6 2995.09 3097.06 146.63 o
1 5 -6 1670.83 1535.44 57.61 o
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15 5 -6 2102.17 2463.40 501.69 o
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6 6 -6 1523.35 2364.95 175.96 o
10 6 -6 1206.89 1648.55 248.23 o
1 7 -6 1834.36 1823.46 71.22 o
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1 3 -5 1483.99 1334.34 36.66 o
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5 3 -5 5213.25 5321.66 124.64 o
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13 3 -5 1957.84 1730.25 284.88 o
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1 1 -4 1050.04 1155.24 46.08 o
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0 0 12 1142.60 1185.62 267.08 o
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10 0 12 5820.39 7137.79 385.43 o
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5 5 12 744.67 1016.99 395.90 o
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2 10 12 3142.94 3103.34 277.55 o
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5 5 13 2315.56 2637.26 315.26 o
0 6 13 770.67 1008.61 477.60 o
4 6 13 4838.26 4897.48 253.46 o
3 7 13 2689.78 2123.01 211.57 o
0 0 14 2456.20 3219.60 522.64 o
4 0 14 6350.98 7283.38 615.85 o
4 2 14 2000.73 3579.89 385.43 o
5 3 14 131.73 2065.40 967.77 o
1 5 14 2735.64 3070.87 607.47 o
1 7 14 2892.01 3518.10 478.65 o
0 8 14 1812.66 1678.93 378.10 o
1 1 15 3895.53 4451.30 412.66 o
18 10 16 56.19 2825.79 1227.51 o
19 5 18 31.96 4187.36 1848.60 o
15 23 21 17.75 7590.25 3382.99 o
7 3 23 4.97 4042.83 1755.38 o