#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/51/2215128.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_2215128_Fobs
loop_
_publ_author_name
'Huang, Chun-Fang'
'Chen, Hua-Long'
_publ_section_title
;
catena-Poly[[chloridonickel(II)]-di-\m-chlorido-[chloridonickel(II)]-\m-4,4'-methylenebis(3,5-dimethylpyrazole)-\k^2^N^2^:N^2'^]
;
_journal_coeditor_code HB2501
_journal_issue 9
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m2356
_journal_page_last m2357
_journal_volume 63
_journal_year 2007
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 79.269
_cell_angle_beta 63.584
_cell_angle_gamma 86.922
_cell_length_a 8.7590
_cell_length_b 8.8792
_cell_length_c 9.7348
_exptl_crystal_F_000 344.00
_reflns_d_resolution_high 0.8378
_[local]_cod_data_source_file hb2501Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' xb1901m in P-1'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 105.42
_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'
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 0 0 1769.86 1648.79 67.66 o
2 0 0 466.28 374.96 28.00 o
3 0 0 64.13 62.19 5.53 o
4 0 0 511.71 563.53 17.83 o
5 0 0 255.49 209.13 13.83 o
6 0 0 1.76 -1.05 13.61 o
7 0 0 234.62 152.86 113.31 o
8 0 0 382.75 397.71 51.10 o
9 0 0 0.75 0.02 39.56 o
-9 1 0 19.88 23.66 40.07 o
-8 1 0 350.14 355.55 103.32 o
-7 1 0 333.18 411.26 48.04 o
-6 1 0 539.76 546.74 28.19 o
-5 1 0 411.55 359.90 70.08 o
-4 1 0 21.19 8.90 5.07 o
-3 1 0 1673.86 1715.36 37.16 o
-2 1 0 1.35 1.58 4.87 o
-1 1 0 1756.23 1512.11 28.46 o
0 1 0 3704.87 3344.44 72.96 o
1 1 0 1664.65 8.87 2.70 o
2 1 0 792.42 886.70 26.18 o
3 1 0 53.20 46.05 6.66 o
4 1 0 4211.50 4485.23 74.29 o
5 1 0 543.34 530.65 21.12 o
6 1 0 399.87 390.27 23.30 o
7 1 0 81.82 78.65 30.38 o
8 1 0 328.51 391.16 51.48 o
9 1 0 4.30 32.28 42.70 o
-9 2 0 93.66 62.36 44.63 o
-8 2 0 35.53 62.27 26.02 o
-7 2 0 792.67 883.55 39.56 o
-6 2 0 1488.72 1502.80 46.14 o
-5 2 0 1921.46 1880.75 48.36 o
-4 2 0 1270.20 744.27 38.84 o
-3 2 0 286.36 283.83 34.01 o
-2 2 0 260.90 268.04 32.15 o
-1 2 0 299.20 318.20 17.63 o
0 2 0 17.20 19.12 6.46 o
1 2 0 5.52 7.92 8.62 o
2 2 0 829.04 986.63 31.59 o
3 2 0 142.62 152.42 13.57 o
4 2 0 2307.48 2219.63 43.30 o
5 2 0 710.12 750.93 24.39 o
6 2 0 692.33 850.84 28.89 o
7 2 0 0.31 2.02 25.38 o
8 2 0 102.98 101.49 36.24 o
9 2 0 1.57 16.45 38.36 o
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-8 3 0 2.34 -0.31 24.93 o
-7 3 0 0.37 2.98 20.35 o
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-5 3 0 899.85 878.05 33.47 o
-4 3 0 293.21 269.83 19.68 o
-3 3 0 577.59 621.60 21.89 o
-2 3 0 5591.01 5358.32 73.04 o
-1 3 0 8239.35 7990.08 180.39 o
0 3 0 2384.95 2144.42 57.94 o
1 3 0 689.93 658.91 28.37 o
2 3 0 134.61 147.09 15.04 o
3 3 0 13.30 13.09 7.80 o
4 3 0 1658.19 1429.56 32.58 o
5 3 0 380.31 397.62 19.37 o
6 3 0 1259.29 1291.92 52.47 o
8 3 0 89.54 86.20 35.46 o
-8 4 0 41.12 33.94 27.97 o
-7 4 0 9.28 10.62 21.89 o
-6 4 0 129.78 128.46 22.17 o
-5 4 0 428.77 408.74 61.30 o
-4 4 0 87.21 90.93 16.63 o
-3 4 0 19.77 5.41 7.21 o
-2 4 0 1391.22 1445.16 32.00 o
0 4 0 13.17 18.59 11.70 o
1 4 0 189.92 199.90 20.45 o
2 4 0 113.92 118.50 17.08 o
3 4 0 1273.86 1206.74 30.58 o
4 4 0 0.79 1.02 11.01 o
5 4 0 0.39 -1.94 16.27 o
6 4 0 145.48 129.53 26.19 o
7 4 0 264.88 375.82 36.72 o
-8 5 0 189.04 148.82 34.47 o
-7 5 0 493.35 504.26 39.28 o
-6 5 0 21.66 22.54 21.23 o
-5 5 0 151.31 162.58 24.11 o
-4 5 0 78.66 77.17 18.40 o
-3 5 0 8.79 4.55 17.58 o
-2 5 0 48.81 38.55 12.80 o
-1 5 0 2018.97 2098.61 69.23 o
0 5 0 178.74 205.05 15.35 o
1 5 0 61.83 62.32 16.60 o
2 5 0 1526.83 1443.31 36.11 o
3 5 0 1266.91 1077.14 30.30 o
4 5 0 18.60 14.89 15.12 o
5 5 0 193.67 213.70 26.01 o
6 5 0 20.57 9.78 22.13 o
7 5 0 166.33 182.11 31.86 o
-7 6 0 121.19 124.88 30.84 o
-6 6 0 2.10 8.32 24.00 o
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-4 6 0 183.76 138.72 29.87 o
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-2 6 0 332.69 401.30 22.39 o
-1 6 0 74.73 66.37 13.70 o
0 6 0 8.96 12.30 12.08 o
1 6 0 95.58 98.06 14.82 o
2 6 0 331.90 324.90 20.65 o
3 6 0 1879.30 1603.89 40.92 o
4 6 0 649.09 488.77 32.70 o
5 6 0 376.21 404.44 33.57 o
6 6 0 8.87 -0.73 20.79 o
7 6 0 59.77 79.90 31.28 o
-7 7 0 12.34 -2.98 38.27 o
-6 7 0 182.43 173.89 41.50 o
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-4 7 0 417.13 323.87 41.85 o
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-1 7 0 1.27 1.41 14.19 o
0 7 0 125.29 119.30 18.55 o
1 7 0 644.17 642.33 29.34 o
2 7 0 3.51 3.44 14.16 o
3 7 0 223.91 194.08 26.24 o
4 7 0 46.87 46.23 21.54 o
5 7 0 949.38 851.27 46.15 o
6 7 0 0.14 0.30 21.99 o
-6 8 0 128.16 91.89 43.70 o
-5 8 0 21.14 18.11 36.48 o
-4 8 0 82.48 104.58 37.67 o
-3 8 0 488.63 525.27 50.56 o
-2 8 0 768.04 612.25 51.71 o
-1 8 0 2.57 4.70 17.62 o
0 8 0 51.27 70.63 27.36 o
1 8 0 216.59 222.17 24.68 o
2 8 0 566.83 617.77 32.60 o
3 8 0 1.10 -2.62 20.76 o
4 8 0 6.58 -0.33 19.90 o
5 8 0 275.21 236.69 32.70 o
-4 9 0 272.28 177.57 46.62 o
-3 9 0 18.47 8.31 32.87 o
-2 9 0 232.02 215.16 41.28 o
-1 9 0 51.81 49.01 23.14 o
0 9 0 7.45 17.10 22.66 o
1 9 0 803.37 973.12 44.39 o
2 9 0 421.21 413.52 40.45 o
3 9 0 153.76 180.19 32.82 o
4 9 0 28.05 21.13 26.69 o
-2 10 0 36.34 36.71 40.15 o
-1 10 0 1.60 -4.89 38.10 o
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1 10 0 163.89 166.10 42.80 o
2 10 0 228.50 271.59 41.42 o
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1 -10 1 1.49 -0.96 38.07 o
2 -10 1 22.23 5.46 42.18 o
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-2 -9 1 49.06 21.75 31.17 o
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0 -9 1 101.56 82.65 25.75 o
1 -9 1 128.10 135.93 24.15 o
2 -9 1 1.35 -0.87 30.57 o
3 -9 1 13.00 3.38 33.44 o
4 -9 1 224.00 200.31 43.77 o
5 -9 1 64.15 41.53 40.03 o
-5 -8 1 106.58 135.09 33.96 o
-4 -8 1 31.34 36.55 24.29 o
-3 -8 1 10.47 -1.00 23.96 o
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0 -8 1 81.24 115.14 22.39 o
1 -8 1 623.90 678.57 34.82 o
3 -8 1 660.86 756.78 57.72 o
4 -8 1 45.21 35.28 32.59 o
5 -8 1 82.22 45.78 36.53 o
6 -8 1 7.61 7.63 37.56 o
-6 -7 1 11.56 15.13 26.96 o
-5 -7 1 365.36 403.88 40.91 o
-4 -7 1 36.91 42.99 25.00 o
-3 -7 1 28.32 20.63 19.81 o
-2 -7 1 91.60 91.03 22.79 o
-1 -7 1 569.86 623.65 40.79 o
0 -7 1 434.34 480.90 36.47 o
1 -7 1 106.50 126.24 21.61 o
2 -7 1 815.69 885.27 33.04 o
3 -7 1 1236.56 1381.11 67.87 o
4 -7 1 38.87 20.58 26.83 o
5 -7 1 24.08 8.27 29.57 o
6 -7 1 42.61 16.89 34.96 o
7 -7 1 115.79 96.19 44.12 o
-6 -6 1 1.25 -3.61 26.43 o
-5 -6 1 1079.32 1095.26 56.22 o
-4 -6 1 956.65 871.55 47.54 o
-3 -6 1 64.39 68.19 20.14 o
-2 -6 1 0.39 4.20 12.02 o
-1 -6 1 1397.00 1373.02 38.33 o
0 -6 1 10.20 13.22 12.37 o
1 -6 1 89.68 78.78 17.35 o
2 -6 1 736.62 822.24 29.23 o
3 -6 1 1414.88 1483.20 65.73 o
4 -6 1 4.37 5.57 22.54 o
5 -6 1 442.71 398.46 43.40 o
6 -6 1 136.56 84.75 33.13 o
7 -6 1 569.80 515.41 41.49 o
8 -6 1 1.62 11.44 30.75 o
-7 -5 1 29.85 4.46 34.40 o
-6 -5 1 35.03 26.66 27.61 o
-5 -5 1 331.08 312.88 31.64 o
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-3 -5 1 311.39 312.75 26.90 o
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0 -5 1 1998.69 2072.68 45.40 o
1 -5 1 354.36 340.49 23.49 o
2 -5 1 459.61 497.54 21.73 o
3 -5 1 580.55 606.85 24.55 o
4 -5 1 416.86 490.24 40.25 o
5 -5 1 11.05 10.16 16.68 o
6 -5 1 201.63 215.27 27.04 o
7 -5 1 725.65 801.09 44.53 o
8 -5 1 97.59 98.97 31.35 o
-7 -4 1 244.25 293.64 39.11 o
-6 -4 1 411.39 437.07 38.32 o
-5 -4 1 343.26 346.36 32.39 o
-4 -4 1 22.90 23.32 17.95 o
-3 -4 1 207.95 206.50 17.42 o
-2 -4 1 279.17 289.46 25.00 o
-1 -4 1 607.84 521.60 33.99 o
0 -4 1 393.30 420.82 17.64 o
1 -4 1 4663.56 4572.95 78.25 o
2 -4 1 980.75 1022.23 27.02 o
3 -4 1 485.10 516.85 19.19 o
4 -4 1 2.30 0.76 11.99 o
5 -4 1 237.37 215.16 61.38 o
6 -4 1 56.79 63.43 19.56 o
7 -4 1 154.79 169.83 26.41 o
8 -4 1 223.22 179.88 30.66 o
9 -4 1 249.25 306.51 39.84 o
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7 -3 1 343.30 385.00 44.56 o
8 -3 1 7.41 5.07 23.20 o
9 -3 1 173.92 183.83 33.86 o
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3 -2 1 9.31 6.67 4.19 o
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5 -2 1 1862.39 1789.24 46.26 o
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8 -2 1 40.13 50.03 23.82 o
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3 -1 1 133.08 130.92 6.73 o
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8 -1 1 249.99 307.01 51.74 o
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0 0 1 4137.93 3641.15 76.58 o
1 0 1 518.52 477.61 10.51 o
2 0 1 385.34 364.28 8.43 o
3 0 1 409.91 409.18 14.30 o
4 0 1 861.70 780.79 23.39 o
5 0 1 1086.88 1143.97 32.65 o
6 0 1 1356.32 1435.87 40.65 o
7 0 1 509.41 515.90 28.25 o
8 0 1 240.19 303.12 28.13 o
9 0 1 44.15 47.85 36.70 o
-8 1 1 281.53 175.79 46.51 o
-7 1 1 232.41 227.19 42.82 o
-6 1 1 72.21 75.36 19.35 o
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-3 1 1 145.14 142.71 21.33 o
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-1 1 1 906.12 864.32 25.48 o
0 1 1 4998.86 5950.78 128.84 o
1 1 1 10139.59 8494.57 177.80 o
2 1 1 600.21 571.01 20.75 o
3 1 1 1951.16 2146.13 57.54 o
4 1 1 3422.69 3331.40 85.86 o
5 1 1 144.98 142.11 16.98 o
6 1 1 119.95 135.39 14.84 o
7 1 1 43.66 41.29 15.63 o
8 1 1 347.20 474.85 49.19 o
9 1 1 52.29 113.29 40.38 o
-8 2 1 30.59 12.40 38.33 o
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-6 2 1 11.05 10.30 17.04 o
-5 2 1 76.96 92.24 16.45 o
-4 2 1 1064.64 964.96 30.75 o
-3 2 1 1413.38 1341.03 41.45 o
-2 2 1 81.49 100.96 10.83 o
-1 2 1 461.40 428.70 15.72 o
0 2 1 7973.33 8858.22 192.70 o
1 2 1 3335.08 3759.47 90.43 o
2 2 1 1168.65 1353.83 42.46 o
3 2 1 291.71 283.55 18.48 o
4 2 1 2309.87 1648.89 50.83 o
5 2 1 1854.65 -0.56 13.44 o
6 2 1 1.13 2.79 16.87 o
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8 2 1 150.08 174.15 34.97 o
9 2 1 3.22 25.37 33.11 o
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0 3 1 5732.04 5818.57 137.08 o
1 3 1 16.04 23.07 13.45 o
2 3 1 193.65 213.70 17.62 o
3 3 1 11.63 6.98 15.42 o
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9 3 1 20.66 20.56 32.21 o
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3 4 1 2059.31 1969.95 61.82 o
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0 6 1 443.72 580.59 43.40 o
1 6 1 80.51 64.03 24.10 o
2 6 1 247.39 288.32 30.52 o
3 6 1 2432.30 2012.21 67.48 o
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5 6 1 1.13 -0.65 15.51 o
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3 7 1 815.38 789.24 45.86 o
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-4 8 1 170.82 168.44 41.76 o
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-1 8 1 435.42 503.27 52.89 o
0 8 1 95.84 114.99 22.41 o
1 8 1 240.96 274.36 25.80 o
2 8 1 352.23 315.52 25.42 o
3 8 1 146.36 149.80 20.58 o
4 8 1 7.68 3.57 19.40 o
5 8 1 37.30 14.81 21.31 o
6 8 1 5.24 2.63 23.92 o
-4 9 1 3.32 3.23 42.34 o
-3 9 1 82.54 39.19 38.36 o
-2 9 1 232.29 260.94 49.53 o
-1 9 1 27.53 32.59 38.67 o
0 9 1 271.96 298.66 31.20 o
1 9 1 356.79 388.88 32.19 o
2 9 1 405.13 438.69 34.55 o
3 9 1 0.86 -2.51 23.40 o
4 9 1 1.49 14.25 23.11 o
5 9 1 86.46 65.28 24.17 o
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-1 10 1 2.04 -0.40 42.96 o
0 10 1 8.23 10.91 27.32 o
1 10 1 313.97 315.82 34.96 o
2 10 1 476.92 405.79 46.67 o
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-2 -9 2 0.57 -0.77 32.62 o
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3 -9 2 13.40 14.69 33.98 o
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