#------------------------------------------------------------------------------
#$Date: 2010-02-13 12:42:52 +0200 (Sat, 13 Feb 2010) $
#$Revision: 986 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2224671.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_2224671_Fobs
loop_
_publ_author_name
'Tiekink, Edward R. T.'
'Wardell, James L.'
'Wardell, Solange M. S. V.'
_publ_section_title
;
 (<i>E</i>)-1-(4-Nitrophenyl)-2-(4-{[(<i>E</i>)-2-(4-nitrophenyl)hydrazinylidene]methyl}benzylidene)hydrazine
 dihydrate
;
_journal_coeditor_code           HG2618
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o191
_journal_page_last               o192
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.749
_cell_angle_beta                 90.533
_cell_angle_gamma                103.131
_cell_length_a                   7.75490
_cell_length_b                   9.3245
_cell_length_c                   15.3374
_exptl_crystal_F_000             460.00
_reflns_d_resolution_high        0.7709
_[local]_cod_data_source_file    hg2618Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' 1077                   R =  New: P-1               '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            135.27
_shelx_f_squared_multiplier      0.010
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
_refln_sint/lambda
2 0 0 18228.50 21361.71 447.77 o 0.13261
3 0 0 324.37 419.32 67.90 o 0.19891
4 0 0 78576.83 72606.52 1116.67 o 0.26521
5 0 0 5.09 386.29 101.85 o 0.33152
6 0 0 19773.66 19357.76 1210.26 o 0.39782
7 0 0 9797.86 9443.53 672.57 o 0.46412
8 0 0 122995.59 160224.31 6034.79 o 0.53043
-9 1 0 51.12 278.94 835.90 o 0.58620
-8 1 0 2910.11 2508.61 592.74 o 0.52022
-7 1 0 4358.54 3927.16 501.91 o 0.45434
-6 1 0 5345.30 5010.79 445.02 o 0.38859
-5 1 0 7399.44 7457.01 585.40 o 0.32308
-4 1 0 5902.00 8971.90 394.55 o 0.25798
-3 1 0 76925.06 69372.11 2043.41 o 0.19368
-2 1 0 136098.58 134810.64 2322.34 o 0.13140
-1 1 0 16745.84 180.76 64.23 o 0.07624
1 1 0 44662.72 49650.08 1020.33 o 0.09633
2 1 0 27461.37 22304.05 388.13 o 0.15557
3 1 0 3371.48 3265.60 141.30 o 0.21890
4 1 0 3401.21 3060.98 152.31 o 0.28359
5 1 0 5312.44 5371.40 327.57 o 0.34889
6 1 0 2089.04 2136.08 174.34 o 0.41451
7 1 0 12477.09 11964.98 378.03 o 0.48031
8 1 0 37.29 0.00 1149.70 o 0.54624
-9 2 0 2306.57 1470.85 712.03 o 0.58092
-8 2 0 533.99 553.29 525.76 o 0.51595
-7 2 0 3109.14 3698.68 469.79 o 0.45137
-6 2 0 4552.82 4334.55 455.11 o 0.38736
-5 2 0 14258.28 14662.61 663.40 o 0.32429
-4 2 0 24280.76 28810.46 559.71 o 0.26280
-3 2 0 23280.77 28632.46 529.43 o 0.20435
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0 2 0 5484.25 7371.68 243.15 o 0.11225
1 2 0 8273.66 7381.77 204.62 o 0.14305
2 2 0 7384.04 8674.61 249.58 o 0.19267
3 2 0 6059.93 5823.75 238.57 o 0.25014
4 2 0 479.69 340.41 107.35 o 0.31115
5 2 0 11386.47 10775.82 523.01 o 0.37396
6 2 0 41965.30 45391.69 1210.26 o 0.43780
7 2 0 80829.02 94000.34 2493.01 o 0.50228
8 2 0 765.73 922.15 291.78 o 0.56718
-9 3 0 2016.12 1463.51 1045.10 o 0.58104
-8 3 0 221.84 0.00 540.44 o 0.51777
-7 3 0 58.11 0.00 389.96 o 0.45535
-6 3 0 3126.86 3385.80 451.44 o 0.39420
-5 3 0 63543.72 63445.59 1867.23 o 0.33502
-4 3 0 501555.81 512783.84 7628.59 o 0.27907
-3 3 0 46581.64 45250.38 794.61 o 0.22871
-2 3 0 83244.55 81560.06 1291.92 o 0.18849
-1 3 0 4352.49 9269.19 257.83 o 0.16596
0 3 0 45626.21 42393.10 1017.57 o 0.16837
1 3 0 7626.09 7320.29 232.14 o 0.19480
2 3 0 1038.16 1680.97 131.21 o 0.23736
3 3 0 36933.14 37187.79 764.33 o 0.28900
4 3 0 8224.45 7488.21 269.76 o 0.34568
5 3 0 1791.67 2093.87 206.45 o 0.40530
6 3 0 403.42 256.00 224.80 o 0.46672
7 3 0 958.04 509.25 280.77 o 0.52932
8 3 0 4.01 0.00 662.48 o 0.59272
-9 4 0 319.17 1219.44 627.61 o 0.58656
-8 4 0 23.15 3.67 509.25 o 0.52560
-7 4 0 5061.83 5437.46 610.18 o 0.46610
-6 4 0 7988.59 9309.56 812.04 o 0.40870
-5 4 0 12268.61 9508.67 825.80 o 0.35443
-4 4 0 156963.03 159942.61 2500.35 o 0.30494
-3 4 0 74909.02 66777.25 1194.66 o 0.26297
-2 4 0 1208.14 3512.42 215.63 o 0.23262
-1 4 0 11127.87 9777.52 291.78 o 0.21877
0 4 0 123026.09 118947.88 2530.63 o 0.22450
1 4 0 6119.46 7321.21 434.92 o 0.24846
2 4 0 11207.15 11260.29 404.64 o 0.28611
3 4 0 540.51 779.01 158.74 o 0.33283
4 4 0 65912.46 74248.95 1546.09 o 0.38534
5 4 0 3915.88 3812.46 423.91 o 0.44157
6 4 0 10384.60 10060.13 892.79 o 0.50028
7 4 0 791.32 779.93 406.48 o 0.56068
-8 5 0 1465.11 1479.11 447.77 o 0.53920
-7 5 0 4392.03 5095.21 466.12 o 0.48318
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-5 5 0 3816.48 3475.72 236.73 o 0.38118
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0 5 0 31308.92 32045.78 873.52 o 0.28062
1 5 0 1058.78 1289.17 226.64 o 0.30301
2 5 0 14863.81 13575.30 511.08 o 0.33716
3 5 0 105958.55 112172.61 2831.59 o 0.37990
4 5 0 1508.87 1261.64 264.26 o 0.42869
5 5 0 178.84 190.85 256.92 o 0.48167
6 5 0 10198.06 12138.40 967.11 o 0.53762
-8 6 0 454.95 749.65 439.51 o 0.55813
-7 6 0 606.52 606.51 308.30 o 0.50594
-6 6 0 20048.18 17769.46 492.73 o 0.45742
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-4 6 0 6211.04 6516.51 1114.84 o 0.37698
-3 6 0 11297.69 12571.49 728.54 o 0.34893
-2 6 0 17508.79 17525.39 472.54 o 0.33192
-1 6 0 95808.43 95607.91 1886.50 o 0.32770
0 6 0 49136.81 55324.27 1391.02 o 0.33675
1 6 0 4953.55 5243.85 472.54 o 0.35805
2 6 0 34635.27 36233.52 1095.57 o 0.38961
3 6 0 95669.02 96864.05 2145.25 o 0.42916
4 6 0 19.73 226.64 272.52 o 0.47472
5 6 0 1011.47 1545.17 398.22 o 0.52472
6 6 0 2.14 0.00 679.91 o 0.57801
-8 7 0 2022.96 1834.20 604.67 o 0.58188
-7 7 0 374.20 333.99 268.85 o 0.53365
-6 7 0 1461.62 1126.76 405.56 o 0.48967
-5 7 0 887.29 1118.51 261.50 o 0.45117
-4 7 0 6772.64 6767.00 589.99 o 0.41968
-3 7 0 2282.64 2070.01 229.39 o 0.39686
-2 7 0 10.91 0.00 134.88 o 0.38426
-1 7 0 7924.85 8074.53 362.44 o 0.38289
0 7 0 35950.13 35284.77 1106.58 o 0.39287
1 7 0 24322.52 24145.59 1384.60 o 0.41338
2 7 0 821.92 658.81 392.72 o 0.44296
3 7 0 1915.69 1878.24 285.36 o 0.47993
4 7 0 977.22 15.60 645.04 o 0.52273
5 7 0 827.69 1909.44 749.65 o 0.57004
-7 8 0 1.70 0.00 383.54 o 0.56559
-6 8 0 31.42 89.00 367.94 o 0.52595
-5 8 0 98.99 697.35 542.28 o 0.49207
-4 8 0 13351.94 12006.27 973.53 o 0.46523
-3 8 0 14963.12 15215.90 662.48 o 0.44670
-2 8 0 52040.22 53610.27 1226.78 o 0.43753
-1 8 0 4007.02 4553.85 873.52 o 0.43832
0 8 0 222.01 536.77 293.62 o 0.44900
1 8 0 6163.23 4743.78 464.29 o 0.46890
2 8 0 2083.15 1428.64 835.90 o 0.49692
3 8 0 17.57 368.86 293.62 o 0.53178
4 8 0 244.75 0.00 504.66 o 0.57222
-6 9 0 656.84 69.73 767.08 o 0.56548
-5 9 0 3852.20 3697.77 456.94 o 0.53574
-4 9 0 85.18 482.64 368.86 o 0.51289
-3 9 0 676.81 12.85 645.04 o 0.49789
-2 9 0 13816.14 11994.34 509.25 o 0.49144
-1 9 0 685.83 317.48 438.59 o 0.49390
0 9 0 0.02 164.24 292.70 o 0.50512
1 9 0 6246.23 5179.63 592.74 o 0.52455
2 9 0 3405.27 2773.78 654.22 o 0.55132
3 9 0 4827.60 3656.48 992.80 o 0.58441
-5 10 0 7162.87 5606.29 1219.44 o 0.58154
-4 10 0 4073.08 2802.23 777.17 o 0.56211
-3 10 0 933.22 31.20 593.66 o 0.55003
-2 10 0 13.62 38.54 606.51 o 0.54580
-1 10 0 145.47 383.54 488.14 o 0.54959
0 10 0 75.44 618.44 624.86 o 0.56125
1 10 0 1.88 1324.04 940.50 o 0.58029
-1 -10 1 2.86 183.51 633.12 o 0.57479
0 -10 1 23.74 866.18 435.84 o 0.55577
1 -10 1 91.39 632.20 363.35 o 0.54422
2 -10 1 512.52 886.36 656.97 o 0.54061
3 -10 1 1468.67 782.68 609.26 o 0.54510
4 -10 1 92.81 144.06 466.12 o 0.55749
5 -10 1 13637.90 13864.33 1135.94 o 0.57729
-3 -9 1 29.32 0.00 453.27 o 0.57916
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0 -9 1 6849.80 6243.08 519.34 o 0.49975
1 -9 1 576.42 315.64 258.75 o 0.48865
2 -9 1 1561.16 2357.21 169.75 o 0.48641
3 -9 1 663.93 585.40 278.94 o 0.49316
4 -9 1 10412.85 9486.65 729.46 o 0.50854
5 -9 1 426.85 446.85 658.81 o 0.53179
6 -9 1 2995.14 2510.44 452.36 o 0.56195
-4 -8 1 236.10 579.90 422.08 o 0.56728
-3 -8 1 44.97 0.00 298.21 o 0.52668
-2 -8 1 11.64 303.71 315.64 o 0.49171
-1 -8 1 2531.14 1925.96 573.47 o 0.46363
0 -8 1 730.04 564.30 356.01 o 0.44376
1 -8 1 162.63 339.50 182.59 o 0.43323
2 -8 1 2382.16 2429.70 161.49 o 0.43271
3 -8 1 113309.98 125211.13 3085.75 o 0.44225
4 -8 1 3944.64 4601.56 417.49 o 0.46121
5 -8 1 4120.79 3556.46 394.55 o 0.48852
6 -8 1 12.95 80.75 301.88 o 0.52285
7 -8 1 64.98 364.27 359.68 o 0.56292
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0 -7 1 24477.74 23607.90 768.00 o 0.38781
1 -7 1 1424.37 1398.36 218.38 o 0.37801
2 -7 1 292.54 299.12 190.85 o 0.37971
3 -7 1 1352.41 1458.00 241.32 o 0.39276
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6 -7 1 1004.71 778.09 288.11 o 0.48708
7 -7 1 4365.29 3624.36 213.79 o 0.53150
8 -7 1 5802.58 3589.49 767.08 o 0.58012
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0 -6 1 28083.32 32949.57 908.38 o 0.33192
1 -6 1 105128.17 107607.75 2288.39 o 0.32311
2 -6 1 11728.59 11555.75 446.85 o 0.32775
3 -6 1 5494.65 6094.43 345.92 o 0.34530
4 -6 1 5485.14 5161.27 408.31 o 0.37395
5 -6 1 1422.54 1028.58 215.63 o 0.41138
6 -6 1 435.98 915.72 223.88 o 0.45544
7 -6 1 96.85 336.74 195.44 o 0.50439
8 -6 1 1752.54 1691.06 278.94 o 0.55694
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0 -5 1 13181.99 11214.42 423.00 o 0.27612
1 -5 1 5553.62 6056.81 312.89 o 0.26871
2 -5 1 44911.31 45432.98 1036.84 o 0.27742
3 -5 1 86.33 317.48 168.83 o 0.30084
4 -5 1 7922.98 7868.99 271.60 o 0.33593
5 -5 1 6780.40 6691.76 278.94 o 0.37945
6 -5 1 55182.88 56445.53 1244.21 o 0.42884
7 -5 1 5633.31 5081.45 317.48 o 0.48231
8 -5 1 4.50 247.74 416.57 o 0.53864
-7 -4 1 2.47 150.48 701.93 o 0.55760
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0 -4 1 352071.81 331177.63 5311.75 o 0.22049
1 -4 1 26215.91 28422.33 745.06 o 0.21520
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5 -4 1 2560.90 3697.77 158.74 o 0.35359
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8 -4 1 5265.50 4521.73 644.13 o 0.52571
9 -4 1 1102.61 850.58 745.06 o 0.58687
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0 -3 1 199478.77 180765.70 2910.50 o 0.16519
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2 -3 1 24370.76 23811.60 521.17 o 0.18693
3 -3 1 1528.36 789.10 87.17 o 0.22794
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1 -2 1 157299.98 142831.05 2564.58 o 0.11587
2 -2 1 1578227.88 1454048.75 23092.23 o 0.15291
3 -2 1 125479.88 111956.98 1695.65 o 0.20526
4 -2 1 462.72 882.69 74.32 o 0.26396
5 -2 1 25536.49 25804.54 970.78 o 0.32559
6 -2 1 21269.38 21898.48 1259.81 o 0.38876
7 -2 1 486.90 1343.31 348.67 o 0.45283
8 -2 1 1595.08 2226.00 1027.67 o 0.51746
9 -2 1 3726.59 4428.14 948.76 o 0.58247
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1 -1 1 1038.10 31.20 70.65 o 0.08020
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4 -1 1 20617.46 17641.92 373.45 o 0.26055
5 -1 1 183.31 296.37 345.00 o 0.32551
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7 0 1 258.58 990.05 454.19 o 0.46710
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-5 1 1 18651.18 18740.24 1131.35 o 0.32407
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-1 1 1 9018.60 1928.71 208.29 o 0.08603
1 1 1 360797.88 318075.81 5013.55 o 0.10651
2 1 1 217935.02 218279.22 3957.44 o 0.16281
3 1 1 763.66 1243.29 118.37 o 0.22463
4 1 1 405.52 351.43 135.80 o 0.28845
5 1 1 2177.15 2161.77 179.84 o 0.35319
6 1 1 42851.65 43582.26 1131.35 o 0.41841
7 1 1 264.30 116.53 221.13 o 0.48393
8 1 1 4180.93 4216.19 1114.84 o 0.54964
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