#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:10:23 +0300 (Sun, 03 Apr 2016) $
#$Revision: 180974 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/54/2205496.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_2205496_Fobs
loop_
_publ_author_name
'Tirosh, Einat'
'Maman, Rozi'
'Goldberg, Israel'
_publ_section_title
;
 Tetraaquabis(1,4-di-4-pyridyl-2,3-diaza-1,3-butadiene)zinc(II)
 bis(perchlorate) and its supramolecular assembly
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m751
_journal_page_last               m754
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.500
_cell_angle_beta                 103.127
_cell_angle_gamma                100.594
_cell_length_a                   7.2316
_cell_length_b                   10.5151
_cell_length_c                   13.4031
_exptl_crystal_F_000             388.00
_reflns_d_resolution_high        0.7709
_cod_data_source_file            hb6169Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' Compound ga67                                      '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            167.83
_shelx_f_squared_multiplier      100.000
#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
_refln_sint/lambda
1 0 0 17437.05 9017.50 479.96 o 0.07233
2 0 0 55127.48 49563.17 1758.81 o 0.14465
3 0 0 84727.08 84660.77 2942.17 o 0.21698
4 0 0 79341.75 77244.80 3073.86 o 0.28930
5 0 0 10155.21 11123.33 1116.58 o 0.36163
6 0 0 18250.44 19092.28 1178.99 o 0.43395
7 0 0 8473.50 10098.50 1286.34 o 0.50628
8 0 0 152.04 2042.17 1263.87 o 0.57860
8 -1 0 4430.80 3623.73 1236.41 o 0.57134
7 -1 0 27372.46 23781.41 1924.83 o 0.49930
6 -1 0 18541.22 21848.46 1517.90 o 0.42736
5 -1 0 16386.20 16258.71 584.19 o 0.35558
4 -1 0 2344.60 1720.12 222.82 o 0.28407
3 -1 0 352802.97 329148.09 18582.99 o 0.21310
2 -1 0 1411514.50 1441621.62 69054.90 o 0.14351
1 -1 0 432243.47 419156.44 19845.62 o 0.07900
0 1 0 86384.41 81653.69 10790.67 o 0.04844
1 1 0 28869.79 38914.80 1808.12 o 0.09442
2 1 0 307552.31 287666.84 9660.98 o 0.16107
3 1 0 89089.00 92175.97 3118.18 o 0.23116
4 1 0 67036.39 62087.06 2598.27 o 0.30231
5 1 0 529.38 817.62 506.17 o 0.37391
6 1 0 4178.99 5122.90 757.70 o 0.44574
7 1 0 1477.57 611.65 941.82 o 0.51771
8 1 0 758.95 1648.96 1180.86 o 0.58977
8 -2 0 17805.33 15877.99 2150.14 o 0.56813
7 -2 0 6399.06 6291.28 1152.78 o 0.49697
6 -2 0 7272.62 5945.51 377.60 o 0.42621
5 -2 0 13088.96 13818.97 873.16 o 0.35607
4 -2 0 656622.88 670398.75 28202.78 o 0.28703
3 -2 0 59378.98 58441.48 2444.74 o 0.22010
2 -2 0 972287.50 991977.38 42961.70 o 0.15799
1 -2 0 528396.25 457112.59 20190.14 o 0.10929
0 2 0 25106.54 36612.37 1874.28 o 0.09689
1 2 0 335377.16 294229.66 9941.84 o 0.13150
2 2 0 15330.80 13176.73 526.15 o 0.18884
3 2 0 199409.25 195518.97 6497.24 o 0.25395
4 2 0 56.94 31.21 250.90 o 0.32215
5 2 0 10575.56 8196.76 1459.23 o 0.39183
6 2 0 1299.07 -24.97 646.60 o 0.46233
7 2 0 14971.26 14193.45 1675.18 o 0.53331
8 2 0 10.18 131.07 1187.10 o 0.60462
8 -3 0 1712.95 910.61 1397.44 o 0.56904
7 -3 0 10969.65 12233.04 541.75 o 0.49936
6 -3 0 154148.47 159043.89 6742.53 o 0.43054
5 -3 0 309.79 368.24 461.24 o 0.36309
4 -3 0 34143.51 48687.51 2928.44 o 0.29794
3 -3 0 29650.08 31037.60 1586.55 o 0.23699
2 -3 0 29435.79 37494.27 1560.34 o 0.18445
1 -3 0 9642.19 8026.37 410.68 o 0.14946
0 3 0 75376.38 63194.27 2979.00 o 0.14533
1 3 0 45121.63 45465.73 2291.20 o 0.17425
2 3 0 374.21 461.86 318.93 o 0.22376
3 3 0 96653.14 89603.91 3121.30 o 0.28325
4 3 0 3481.15 3538.84 338.28 o 0.34765
5 3 0 15977.33 15110.93 738.35 o 0.41467
6 3 0 4726.18 5202.79 1002.98 o 0.48322
7 3 0 9691.80 12888.38 1542.86 o 0.55274
8 3 0 201.86 532.39 1170.25 o 0.62289
8 -4 0 16361.34 14099.21 1951.05 o 0.57405
7 -4 0 11664.59 9736.50 1715.12 o 0.50638
6 -4 0 47840.19 42159.06 1914.22 o 0.44019
5 -4 0 25246.79 22936.33 1220.18 o 0.37627
4 -4 0 7587.91 5538.57 646.60 o 0.31599
3 -4 0 23124.12 22697.29 1047.30 o 0.26188
2 -4 0 23012.06 22412.68 1135.30 o 0.21857
1 -4 0 19802.01 17868.36 886.90 o 0.19347
0 4 0 69968.89 65357.53 2464.08 o 0.19377
1 4 0 80487.73 88237.69 3379.07 o 0.21938
2 4 0 67258.66 64431.93 2727.47 o 0.26300
3 4 0 12459.42 12320.42 543.62 o 0.31729
4 4 0 25941.37 25973.99 865.67 o 0.37767
5 4 0 97.36 362.62 348.89 o 0.44166
6 4 0 29468.87 34555.85 2349.87 o 0.50789
7 4 0 807.42 906.24 941.82 o 0.57559
8 -5 0 17030.18 12960.16 2104.58 o 0.58306
7 -5 0 25099.95 24222.05 2409.78 o 0.51786
6 -5 0 14.07 1159.64 661.58 o 0.45483
5 -5 0 6146.60 7226.23 805.76 o 0.39498
4 -5 0 50738.91 57150.15 2379.83 o 0.34003
3 -5 0 24958.36 22673.57 1356.24 o 0.29273
2 -5 0 9878.25 8297.25 633.50 o 0.25733
1 -5 0 158504.12 141592.47 4815.82 o 0.23919
0 5 0 2446.99 1438.01 359.50 o 0.24221
1 5 0 22936.72 22912.61 1028.57 o 0.26568
2 5 0 3479.33 3163.74 506.80 o 0.30490
3 5 0 13940.86 11886.02 723.37 o 0.35469
4 5 0 30960.98 34438.51 1202.08 o 0.41122
5 5 0 1281.98 1881.14 479.96 o 0.47209
6 5 0 20570.98 23008.11 1869.28 o 0.53581
7 5 0 1285.63 7415.35 4517.49 o 0.60148
8 -6 0 5456.36 2085.23 1645.22 o 0.59588
7 -6 0 630.52 1023.58 1243.90 o 0.53351
6 -6 0 16845.00 13800.87 1726.36 o 0.47398
5 -6 0 6039.58 6241.35 699.03 o 0.41850
4 -6 0 101099.01 95809.07 3766.03 o 0.36890
3 -6 0 14717.16 12425.90 669.07 o 0.32786
2 -6 0 120659.59 123372.11 4606.11 o 0.29893
1 -6 0 42091.96 47406.16 2029.69 o 0.28581
0 6 0 28146.43 31065.69 1114.08 o 0.29066
1 6 0 12242.29 15560.93 965.54 o 0.31263
2 6 0 9054.12 10941.08 842.58 o 0.34850
3 6 0 61358.09 62837.27 2138.91 o 0.39450
4 6 0 2095.38 1853.68 530.51 o 0.44751
5 6 0 7951.66 8514.45 758.32 o 0.50534
6 6 0 5311.75 6505.98 1325.66 o 0.56651
7 6 0 6363.10 8558.14 2236.28 o 0.63005
8 -7 0 13733.00 15227.64 2320.53 o 0.61228
7 -7 0 2843.90 4014.43 1511.65 o 0.55298
6 -7 0 10897.49 21732.38 16374.80 o 0.49713
5 -7 0 3189.76 1860.55 756.45 o 0.44605
4 -7 0 74023.80 79946.67 3886.49 o 0.40155
3 -7 0 18807.21 21062.05 1444.87 o 0.36604
2 -7 0 98033.80 97528.55 3898.35 o 0.34233
1 -7 0 17758.45 19663.99 996.74 o 0.33295
0 7 0 192188.66 181324.28 5987.95 o 0.33910
1 7 0 6481.67 6647.04 682.80 o 0.35997
2 7 0 22777.09 21988.89 1147.78 o 0.39323
3 7 0 39807.14 35323.54 2316.16 o 0.43606
4 7 0 246.12 603.54 655.97 o 0.48592
5 7 0 12581.51 10858.70 1053.54 o 0.54089
6 7 0 4266.45 6570.27 1741.96 o 0.59955
8 -8 0 2366.35 2500.91 1429.89 o 0.63197
7 -8 0 4833.05 5491.14 1299.45 o 0.57587
6 -8 0 2407.13 2469.08 965.54 o 0.52375
5 -8 0 13903.78 13523.75 1066.02 o 0.47694
4 -8 0 16034.52 15937.91 1097.23 o 0.43714
3 -8 0 13852.82 14325.14 983.64 o 0.40642
2 -8 0 77280.34 80170.74 3355.35 o 0.38693
1 -8 0 56839.04 58365.34 2251.88 o 0.38042
0 8 0 70614.23 71261.22 3121.30 o 0.38754
1 8 0 12518.09 12058.91 1023.58 o 0.40757
2 8 0 36449.17 36521.87 1811.86 o 0.43876
3 8 0 16138.71 16847.90 1599.66 o 0.47891
4 8 0 638.43 1361.24 961.79 o 0.52600
5 8 0 2935.86 3473.31 1378.09 o 0.57831
6 8 0 5010.63 4713.47 1931.07 o 0.63457
7 -9 0 9198.13 12781.03 2554.58 o 0.60180
6 -9 0 36.71 692.17 823.23 o 0.55334
5 -9 0 19572.97 19245.20 1665.82 o 0.51057
4 -9 0 2394.25 1355.62 849.45 o 0.47502
3 -9 0 30593.09 26563.18 1467.97 o 0.44839
2 -9 0 4228.05 5433.09 815.12 o 0.43236
1 -9 0 58673.31 55537.39 2494.67 o 0.42811
0 9 0 10694.69 10908.00 1056.04 o 0.43598
1 9 0 14473.94 18896.31 1325.04 o 0.45535
2 9 0 8723.81 7455.91 1255.14 o 0.48484
3 9 0 1412.47 2886.00 1213.94 o 0.52275
4 9 0 5741.21 3344.11 1325.04 o 0.56737
5 9 0 10350.16 7857.23 1484.82 o 0.61727
7 -10 0 3843.90 3557.57 1658.95 o 0.63038
6 -10 0 1784.71 2886.00 1383.71 o 0.58545
5 -10 0 8531.18 7497.11 1491.06 o 0.54643
4 -10 0 2194.16 3014.57 1561.59 o 0.51466
3 -10 0 16513.38 17783.47 1770.05 o 0.49156
2 -10 0 1265.61 2988.98 890.02 o 0.47838
1 -10 0 17188.39 16992.07 1730.10 o 0.47595
0 10 0 2773.26 1604.03 1031.69 o 0.48443
1 10 0 2058.84 1833.71 1007.98 o 0.50326
2 10 0 10884.13 9077.42 1460.48 o 0.53135
3 10 0 17456.28 17385.90 2208.19 o 0.56733
4 10 0 6.99 -642.86 1097.85 o 0.60979
6 -11 0 3482.86 854.44 1510.41 o 0.61969
5 -11 0 3416.88 6867.98 1872.40 o 0.58411
4 -11 0 7514.07 6595.86 1604.03 o 0.55571
3 -11 0 2235.06 2254.38 1215.19 o 0.53563
2 -11 0 93.14 93.00 1012.97 o 0.52484
1 -11 0 1013.83 592.30 1084.12 o 0.52390
0 11 0 9037.89 8616.81 1393.07 o 0.53287
1 11 0 7709.90 7913.41 1222.68 o 0.55126
2 11 0 745.76 1888.01 1345.63 o 0.57818
3 11 0 405.53 1547.85 1473.58 o 0.61250
5 -12 0 1339.85 368.24 1580.31 o 0.62327
4 -12 0 488.52 393.20 1428.64 o 0.59786
3 -12 0 1341.98 2077.74 1375.59 o 0.58040
2 -12 0 22063.98 23248.40 3107.57 o 0.57163
1 -12 0 5924.96 3510.76 1385.58 o 0.57193
0 12 0 379.17 760.20 1124.07 o 0.58131
1 12 0 4436.26 4616.10 1750.07 o 0.59933
2 12 0 17102.04 20492.22 2171.36 o 0.62525
3 -13 0 16889.74 11190.11 2072.75 o 0.62572
2 -13 0 4.58 1674.55 2095.22 o 0.61867
1 -13 0 2046.64 1338.15 1479.82 o 0.62003
0 13 0 1540.54 275.24 1769.42 o 0.62975
0 13 -1 235.57 -161.65 1376.84 o 0.62890
1 -13 1 8802.50 11459.11 2114.57 o 0.62020
2 -13 1 3089.23 2677.54 1414.29 o 0.61988
3 -13 1 5913.53 7212.50 1624.00 o 0.62795
2 12 -1 1899.23 2843.56 1507.91 o 0.62248
1 12 -1 1219.28 3335.38 1222.68 o 0.59752
0 12 -1 504.80 62.41 1042.31 o 0.58055
1 -12 1 10027.71 11834.22 1821.85 o 0.57229
2 -12 1 505.65 149.79 1155.27 o 0.57311
3 -12 1 3619.58 3954.52 1698.89 o 0.58297
4 -12 1 314.90 543.00 1436.13 o 0.60143
5 -12 1 3563.01 -86.75 1904.24 o 0.62773
3 11 -1 1095.65 891.89 1736.34 o 0.60877
2 11 -1 6029.02 7801.06 1562.83 o 0.57535
1 11 -1 1096.99 1361.24 1369.98 o 0.54947
0 11 -1 1946.98 1773.17 1097.85 o 0.53223
1 -11 1 1174.50 3023.31 1294.46 o 0.52448
2 -11 1 17714.87 19487.36 2250.01 o 0.52664
3 -11 1 686.42 543.00 1366.23 o 0.53860
4 -11 1 10938.82 9581.09 1809.37 o 0.55972
5 -11 1 5554.14 5969.85 1343.14 o 0.58903
6 -11 1 3399.77 631.00 1587.80 o 0.62536
4 10 -1 352.86 -75.52 1077.88 o 0.60514
3 10 -1 18680.66 19465.52 2292.45 o 0.56347
2 10 -1 3331.41 4734.69 1358.74 o 0.52846
1 10 -1 10454.30 9845.73 1144.66 o 0.50149
0 10 -1 2394.04 3836.56 949.31 o 0.48392
1 -10 1 11525.41 9335.18 1434.89 o 0.47679
2 -10 1 1995.21 1492.31 983.01 o 0.48057
3 -10 1 4826.55 4094.95 1081.63 o 0.49499
4 -10 1 13910.15 15150.25 1886.76 o 0.51919
5 -10 1 5486.08 5293.91 1862.42 o 0.55186
6 -10 1 7114.54 13634.23 2804.24 o 0.59162
7 -10 1 978.38 -431.90 968.66 o 0.63713
5 9 -1 6908.51 7552.03 1565.33 o 0.61178
4 9 -1 7520.20 9167.92 1391.82 o 0.56255
3 9 -1 14750.45 15286.31 1582.18 o 0.51875
2 9 -1 22203.69 21430.29 1549.73 o 0.48187
1 9 -1 15160.72 14344.49 1041.06 o 0.45361
0 9 -1 283.88 -68.65 618.52 o 0.43565
1 -9 1 63071.10 68339.64 2974.00 o 0.42928
2 -9 1 200.54 262.14 667.82 o 0.43500
3 -9 1 25057.00 26666.16 1780.03 o 0.45237
4 -9 1 1536.61 700.28 986.76 o 0.48012
5 -9 1 11694.70 12496.43 1730.73 o 0.51657
6 -9 1 13238.87 14572.30 2117.07 o 0.56004
7 -9 1 1175.30 906.24 1650.21 o 0.60902
6 8 -1 5600.18 7347.32 1760.68 o 0.62836
5 8 -1 4188.88 3454.59 1188.98 o 0.57262
4 8 -1 17639.38 17636.80 1258.88 o 0.52097
3 8 -1 3640.69 3146.26 593.55 o 0.47475
2 8 -1 56088.61 51087.31 2321.16 o 0.43569
1 8 -1 22382.61 24493.55 1162.14 o 0.40587
0 8 -1 29540.66 28904.31 1423.65 o 0.38742
1 -8 1 60950.29 56209.58 2322.41 o 0.38199
2 -8 1 6821.33 8254.18 846.95 o 0.39013
3 -8 1 5397.57 5351.96 751.46 o 0.41104
4 -8 1 23807.66 24567.82 1486.07 o 0.44290
5 -8 1 8968.34 9426.93 1334.40 o 0.48356
6 -8 1 3230.55 6117.14 1495.43 o 0.53101
7 -8 1 8420.97 11783.04 2246.89 o 0.58358
6 7 -1 5560.06 6043.50 1621.50 o 0.59314
5 7 -1 1554.94 1504.79 704.65 o 0.53498
4 7 -1 3905.73 4713.47 672.82 o 0.48068
3 7 -1 19779.05 17510.72 899.38 o 0.43171
2 7 -1 103223.70 105070.58 4404.52 o 0.39006
1 7 -1 8633.91 6685.73 645.98 o 0.35831
0 7 -1 163874.73 170784.52 5876.85 o 0.33925
1 -7 1 31269.45 26795.36 1474.21 o 0.33504
2 -7 1 84155.64 88942.95 3910.83 o 0.34623
3 -7 1 2719.09 3093.21 615.40 o 0.37143
4 -7 1 26638.80 33709.52 1653.33 o 0.40805
5 -7 1 12040.47 10694.55 1012.97 o 0.45334
6 -7 1 910.86 1258.26 1036.69 o 0.50496
7 -7 1 851.90 1700.77 1342.51 o 0.56118
8 -7 1 10316.94 9798.92 2377.33 o 0.62074
7 6 -1 458.44 1999.73 1427.40 o 0.62307
6 6 -1 3180.62 4756.53 1100.35 o 0.55989
5 6 -1 5928.77 5259.58 699.03 o 0.49921
4 6 -1 4933.65 3855.90 578.57 o 0.44204
3 6 -1 39953.17 37006.20 1428.64 o 0.38994
2 6 -1 37362.66 44394.09 1664.57 o 0.34520
1 6 -1 14632.84 14230.90 866.92 o 0.31103
0 6 -1 330845.59 333331.09 15051.64 o 0.29116
1 -6 1 11441.07 10760.08 688.42 o 0.28858
2 -6 1 59465.79 56172.14 2134.54 o 0.30370
3 -6 1 24979.57 28770.11 1447.37 o 0.33415
4 -6 1 6284.40 5066.73 596.05 o 0.37622
5 -6 1 5028.94 3865.89 815.12 o 0.42649
6 -6 1 19924.95 19864.34 1759.44 o 0.48239
7 -6 1 3908.61 6789.34 1992.24 o 0.54219
8 -6 1 14308.62 9244.06 1564.71 o 0.60473
7 5 -1 4175.40 4372.69 1253.89 o 0.59434
6 5 -1 9821.00 8182.41 1215.19 o 0.52900
5 5 -1 8442.65 7913.41 604.16 o 0.46573
4 5 -1 5528.51 5456.19 513.66 o 0.40550
3 5 -1 39964.26 37985.47 1262.62 o 0.34989
2 5 -1 9962.73 10661.47 701.53 o 0.30145
1 5 -1 90345.27 85259.32 3552.58 o 0.26417
0 5 -1 6043.46 6341.83 453.12 o 0.24323
1 -5 1 140268.56 134142.16 4513.74 o 0.24289
2 -5 1 15.09 -225.31 337.03 o 0.26324
3 -5 1 9607.46 9077.42 707.77 o 0.30009
4 -5 1 99839.61 93041.65 3711.11 o 0.34825
5 -5 1 29124.35 34145.79 1547.23 o 0.40368
6 -5 1 60560.43 59015.69 2917.21 o 0.46379
7 -5 1 1739.32 1085.37 1426.15 o 0.52698
8 -5 1 11846.98 6894.19 1771.29 o 0.59227
8 4 -1 4795.37 3671.78 1493.55 o 0.63677
7 4 -1 3835.43 2376.08 1070.39 o 0.56829
6 4 -1 17440.51 21685.56 1931.07 o 0.50089
5 4 -1 3553.23 4466.93 528.02 o 0.43508
4 4 -1 31783.09 30538.29 1215.19 o 0.37170
3 4 -1 5395.81 4605.49 396.95 o 0.31223
2 4 -1 8852.51 16339.23 707.14 o 0.25937
1 4 -1 57646.15 52816.16 2469.08 o 0.21800
0 4 -1 162952.98 158288.70 5594.74 o 0.19554
1 -4 1 205349.00 193915.56 7097.04 o 0.19851
2 -4 1 58374.74 61185.19 2384.19 o 0.22593
3 -4 1 59687.14 51481.14 2115.19 o 0.27045
4 -4 1 64769.74 66942.20 2575.18 o 0.32511
5 -4 1 12340.48 10841.85 921.22 o 0.38564
6 -4 1 53450.57 55723.38 3170.60 o 0.44967
7 -4 1 26924.08 25040.29 1050.42 o 0.51590
8 -4 1 7710.98 4745.92 2024.69 o 0.58357
8 3 -1 1252.33 1080.38 1433.01 o 0.61526
7 3 -1 6416.16 6018.53 1384.96 o 0.54531
6 3 -1 18627.74 20154.56 1233.91 o 0.47607
5 3 -1 917.85 1148.41 363.87 o 0.40790
4 3 -1 2438.14 2345.50 366.99 o 0.34144
3 3 -1 20510.85 19048.59 697.78 o 0.27793
2 3 -1 1050.84 2430.38 272.75 o 0.21993
1 3 -1 10463.63 8987.54 569.21 o 0.17308
0 3 -1 583839.94 590279.25 26949.52 o 0.14834
1 -3 1 2881.01 1105.97 273.37 o 0.15657
2 -3 1 195497.77 196708.56 8339.07 o 0.19362
3 -3 1 9502.97 12267.99 752.71 o 0.24682
4 -3 1 467807.31 474908.53 23301.45 o 0.30792
5 -3 1 23535.27 20515.31 1199.59 o 0.37306
6 -3 1 48835.96 54573.10 2989.61 o 0.44045
7 -3 1 4634.13 4456.32 1128.44 o 0.50919
8 -3 1 7611.91 8558.14 1885.51 o 0.57881
8 2 -1 66.66 -517.41 1060.41 o 0.59692
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