#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:16:35 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180774 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/05/2010537.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_2010537_Fobs
loop_
_publ_author_name
'Wulff-Molder, Dirk'
'Meisel, Manfred'
_publ_section_title
;
 The cyclic vanadylacetate
 (C~24~H~20~P)[V~4~O~8~(C~2~H~3~O~2~)~4~(NO~3~)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              33
_journal_page_last               34
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_exptl_crystal_F_000             3920.00
_cod_data_source_file            jz1345Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
'  dirk50 in P41/a (No.88) DIFABS 1.000 0.631'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            599.15
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
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
0 2 0 333288.69 356899.75 5093.82 o
2 2 0 60.97 -10.26 247.25 o
-2 4 0 271251.44 271010.69 1645.62 o
0 4 0 203676.50 245357.94 4058.64 o
2 4 0 116584.86 126876.63 2212.96 o
4 4 0 7638.15 6804.07 245.20 o
-4 6 0 101867.58 96528.13 1198.30 o
-2 6 0 118375.77 113083.82 3545.67 o
0 6 0 2835.61 3806.26 241.10 o
2 6 0 86.26 121.06 175.44 o
4 6 0 1671.27 1346.04 186.72 o
6 6 0 15712.00 17226.65 436.03 o
-6 8 0 35628.79 34640.02 587.87 o
-4 8 0 51198.68 42098.65 1594.32 o
-2 8 0 64942.39 67593.39 2693.11 o
0 8 0 10170.35 9798.81 267.77 o
2 8 0 2614.30 4211.51 1219.85 o
4 8 0 76798.09 76547.84 904.88 o
6 8 0 4322.06 4904.02 205.19 o
8 8 0 28227.04 26619.18 785.87 o
-8 10 0 1988.76 2337.10 257.51 o
-6 10 0 80380.45 83446.30 2421.23 o
-4 10 0 61678.70 61845.02 3425.63 o
-2 10 0 17370.15 15503.06 301.63 o
0 10 0 793.09 769.46 170.31 o
2 10 0 86697.23 81068.16 1307.05 o
4 10 0 164363.63 155484.09 1214.72 o
6 10 0 1754.24 2029.32 178.51 o
8 10 0 9578.66 9678.77 368.31 o
10 10 0 32202.23 30932.26 2052.92 o
-10 12 0 2463.42 2371.99 250.33 o
-8 12 0 20.32 36.93 269.82 o
-6 12 0 212165.80 225355.08 12477.55 o
-4 12 0 74118.63 76934.63 3665.70 o
-2 12 0 37711.03 41021.41 466.81 o
0 12 0 15837.49 16500.28 315.99 o
2 12 0 395.95 340.61 193.90 o
4 12 0 3137.74 3187.61 216.47 o
6 12 0 8332.51 8401.47 239.05 o
8 12 0 19694.30 19134.91 334.46 o
10 12 0 44637.36 41397.93 4135.59 o
12 12 0 3532.78 3089.12 310.86 o
-12 14 0 656.06 692.51 288.29 o
-10 14 0 442.59 245.20 254.43 o
-8 14 0 478.01 493.48 338.56 o
-6 14 0 6609.58 7028.75 824.86 o
-4 14 0 18.24 135.42 219.55 o
-2 14 0 10189.24 9442.80 280.08 o
0 14 0 35144.64 33894.16 663.79 o
2 14 0 1511.14 1281.41 187.75 o
4 14 0 2109.93 2429.44 222.63 o
6 14 0 130.48 477.06 178.51 o
8 14 0 6971.58 6954.89 252.38 o
10 14 0 3271.59 3496.42 232.89 o
12 14 0 15.06 234.94 249.30 o
-10 16 0 1337.92 897.70 442.18 o
-8 16 0 16.26 267.77 255.46 o
-6 16 0 2705.38 2877.78 353.95 o
-4 16 0 6447.46 5627.31 971.57 o
-2 16 0 6914.51 6842.03 309.84 o
0 16 0 64794.44 59244.25 2159.62 o
2 16 0 15568.62 16052.97 975.67 o
4 16 0 41.90 136.45 224.68 o
6 16 0 12007.50 11737.84 475.01 o
8 16 0 2597.05 2341.21 232.89 o
10 16 0 3810.47 3858.58 251.36 o
-6 18 0 13.46 83.10 329.33 x
-4 18 0 245.63 625.83 308.81 o
-2 18 0 236.52 324.20 241.10 o
0 18 0 3624.39 3518.99 262.64 o
2 18 0 896.34 742.78 221.60 o
4 18 0 1857.91 1616.89 241.10 o
6 18 0 43268.65 37957.93 1746.16 x
-1 2 1 6156.99 5900.21 364.21 o
1 2 1 0.82 172.36 194.93 o
-2 3 1 17358.77 19555.55 360.11 o
0 3 1 151.31 558.11 201.09 o
2 3 1 8947.64 8964.71 257.51 o
-3 4 1 12486.90 14205.24 240.07 o
-1 4 1 5187.56 6204.92 256.49 o
1 4 1 40244.40 41898.59 424.74 o
3 4 1 12232.03 11253.60 219.55 o
-4 5 1 6726.56 6375.23 176.46 o
-2 5 1 84.34 -9.23 151.84 o
0 5 1 3863.25 3501.55 182.62 o
2 5 1 8.09 -11.29 148.76 o
4 5 1 15.13 41.04 127.22 o
-5 6 1 1078.60 2354.54 759.20 o
-3 6 1 3534.44 2960.88 163.13 o
-1 6 1 1931.58 2360.70 163.13 o
1 6 1 547.84 4693.70 1537.89 o
3 6 1 1912.21 3174.28 551.96 o
5 6 1 1791.72 1448.64 112.85 o
-6 7 1 7101.67 7293.45 177.49 o
-4 7 1 1289.35 1157.27 142.61 o
-2 7 1 3710.65 3491.29 162.10 o
0 7 1 469.39 565.30 130.30 o
2 7 1 1.17 -18.47 132.35 o
4 7 1 1340.71 1280.38 132.35 o
6 7 1 999.75 1059.80 111.83 o
-7 8 1 1585.15 10324.09 2091.90 o
-5 8 1 395.97 456.55 127.22 o
-3 8 1 12310.65 12460.11 368.31 o
-1 8 1 1472.61 2118.58 147.74 o
1 8 1 957.02 1065.96 130.30 o
3 8 1 3610.67 3173.25 138.50 o
5 8 1 2089.29 1990.33 128.24 o
7 8 1 1577.88 1408.62 113.88 o
-8 9 1 2070.11 2185.26 169.28 o
-6 9 1 893.65 916.17 135.42 o
-4 9 1 591.65 769.46 136.45 o
-2 9 1 3315.87 3209.16 153.89 o
0 9 1 135.35 947.97 398.07 o
2 9 1 1066.79 873.08 128.24 o
4 9 1 5203.31 4681.39 151.84 o
6 9 1 155.63 173.38 110.80 o
8 9 1 1192.05 1136.75 148.76 o
-9 10 1 42.93 67.71 160.05 o
-7 10 1 3.40 -50.27 175.44 o
-5 10 1 72.52 226.73 133.37 o
-3 10 1 3283.99 2970.11 144.66 o
-1 10 1 603.28 506.82 114.91 o
1 10 1 5812.02 5318.50 150.81 o
3 10 1 780.70 686.36 130.30 o
5 10 1 1775.21 1799.51 123.11 o
7 10 1 1765.53 1871.32 149.79 o
9 10 1 720.77 643.27 128.24 o
-10 11 1 268.22 155.94 150.81 o
-8 11 1 197.33 140.55 163.13 o
-6 11 1 16.57 136.45 181.59 o
-4 11 1 100.41 -5.13 144.66 o
-2 11 1 750.61 3393.83 1028.00 o
0 11 1 9717.26 9392.53 179.54 o
2 11 1 3571.21 3234.81 134.40 o
4 11 1 587.83 714.06 134.40 o
6 11 1 95.43 67.71 133.37 o
8 11 1 2498.48 2501.26 149.79 o
10 11 1 117.45 119.01 132.35 o
-11 12 1 4.55 -5.13 194.93 o
-9 12 1 145.36 217.50 176.46 o
-7 12 1 1021.27 1175.73 167.23 o
-5 12 1 1907.81 2052.92 171.33 o
-3 12 1 2841.12 2735.17 161.07 o
-1 12 1 150.07 57.45 145.68 o
1 12 1 89.35 126.19 149.79 o
3 12 1 1953.49 2007.78 151.84 o
5 12 1 79.18 189.80 138.50 o
7 12 1 1260.62 1282.43 134.40 o
9 12 1 1899.69 1926.73 148.76 o
11 12 1 1877.69 1577.90 213.40 o
-12 13 1 101.49 102.59 224.68 o
-10 13 1 585.07 774.59 205.19 o
-8 13 1 35.50 110.80 160.05 o
-6 13 1 622.53 459.62 180.57 o
-4 13 1 11.94 67.71 164.15 o
-2 13 1 105.05 158.00 152.87 o
0 13 1 180.05 173.38 133.37 o
2 13 1 1175.98 1208.56 144.66 o
4 13 1 2670.09 2638.73 152.87 o
6 13 1 1006.07 929.51 139.53 o
8 13 1 631.75 807.42 142.61 o
10 13 1 1379.64 1209.59 182.62 o
12 13 1 989.37 899.75 190.83 o
-13 14 1 1133.21 1166.50 226.73 x
-11 14 1 271.36 275.98 216.47 o
-9 14 1 577.67 681.23 209.29 o
-7 14 1 149.97 233.92 176.46 o
-5 14 1 756.18 808.45 170.31 o
-3 14 1 67.31 130.30 136.45 o
-1 14 1 113.19 -37.96 141.58 o
1 14 1 6628.13 6622.48 166.20 o
3 14 1 572.19 581.71 138.50 o
5 14 1 2052.80 1989.31 144.66 o
7 14 1 21.77 145.68 127.22 o
9 14 1 351.74 550.93 161.07 o
11 14 1 265.41 245.20 166.20 o
13 14 1 978.70 1013.63 225.71 x
-12 15 1 543.61 527.34 188.77 x
-10 15 1 30.22 -146.71 228.79 o
-8 15 1 1092.44 1028.00 196.98 o
-6 15 1 1442.53 1569.70 224.68 o
-4 15 1 7.11 -35.91 145.68 o
-2 15 1 475.40 436.03 134.40 o
0 15 1 489.13 537.60 148.76 o
2 15 1 5754.49 5700.15 162.10 o
4 15 1 1103.43 1049.54 142.61 o
6 15 1 3.40 30.78 150.81 o
8 15 1 105.89 81.05 143.63 o
10 15 1 45.49 38.99 152.87 o
12 15 1 629.92 546.83 173.38 x
-11 16 1 357.16 282.14 289.32 x
-9 16 1 129.09 299.58 281.11 o
-7 16 1 335.88 690.46 296.50 o
-5 16 1 1083.10 1262.94 187.75 o
-3 16 1 220.24 255.46 165.18 o
-1 16 1 549.64 360.11 172.36 o
1 16 1 116.12 132.35 156.97 o
3 16 1 1.11 -65.66 170.31 o
5 16 1 14.67 -74.89 156.97 o
7 16 1 631.23 614.54 155.94 o
9 16 1 103.81 134.40 154.92 o
11 16 1 7.46 324.20 198.01 x
-8 17 1 128.60 2.05 259.56 o
-6 17 1 592.14 647.37 191.85 o
-4 17 1 72.94 177.49 232.89 o
-2 17 1 939.22 1108.02 192.88 o
0 17 1 350.54 332.41 168.26 o
2 17 1 6.81 160.05 170.31 o
4 17 1 111.04 41.04 176.46 o
6 17 1 266.75 148.76 149.79 o
8 17 1 117.97 115.93 175.44 o
-7 18 1 408.53 583.76 190.83 x
-5 18 1 686.26 377.55 216.47 o
-3 18 1 5.88 11.29 194.93 o
-1 18 1 567.54 556.06 177.49 o
1 18 1 247.52 306.76 165.18 o
3 18 1 111.17 -70.79 170.31 o
5 18 1 449.68 362.16 178.51 o
7 18 1 1.34 171.33 193.90 x
-4 19 1 649.57 792.03 370.37 x
-2 19 1 1094.96 966.44 194.93 x
0 19 1 83.54 283.16 210.32 x
2 19 1 1165.57 695.59 198.01 x
4 19 1 293.07 133.37 214.42 x
1 1 2 192662.44 183983.83 1984.18 o
0 2 2 52.64 159.02 196.98 o
2 2 2 108.87 1136.75 426.79 o
-1 3 2 82326.31 98997.59 1686.65 o
1 3 2 56563.11 60805.73 532.47 o
3 3 2 182953.95 185286.78 2289.91 o
-2 4 2 129.74 380.63 182.62 o
0 4 2 3416.77 2982.42 199.03 o
2 4 2 1170.42 946.95 170.31 o
4 4 2 4618.55 4153.03 160.05 o
-3 5 2 126048.70 118304.84 1802.59 o
-1 5 2 19026.94 21439.18 314.97 o
1 5 2 54369.71 50634.52 651.48 o
3 5 2 5795.35 3632.87 150.81 o
5 5 2 792.68 805.37 129.27 o
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-2 6 2 7284.12 6055.13 191.85 o
0 6 2 3870.82 4023.76 163.13 o
2 6 2 256.80 1216.77 370.37 o
4 6 2 2110.54 2952.67 519.13 o
6 6 2 742.84 390.89 120.04 o
-5 7 2 14.98 97.46 122.09 o
-3 7 2 34561.54 29361.54 1003.37 o
-1 7 2 2225.74 2209.89 140.55 o
1 7 2 720.97 511.95 143.63 o
3 7 2 9289.12 9712.63 179.54 o
5 7 2 2943.88 3312.78 139.53 o
7 7 2 67949.15 63875.37 1078.27 o
-6 8 2 537.48 476.04 129.27 o
-4 8 2 559.98 646.35 125.17 o
-2 8 2 2964.99 2911.63 158.00 o
0 8 2 474.07 594.02 165.18 o
2 8 2 23.63 144.66 119.01 o
4 8 2 132.31 228.79 111.83 o
6 8 2 136.42 64.63 108.75 o
8 8 2 1024.04 1080.32 129.27 o
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-3 9 2 15081.99 16288.94 536.57 o
-1 9 2 32407.95 30740.41 402.17 o
1 9 2 36767.86 39015.68 290.34 o
3 9 2 130666.27 128137.52 1042.36 o
5 9 2 36846.04 36185.10 263.67 o
7 9 2 62881.97 61549.55 618.65 o
9 9 2 52183.89 53822.12 2291.96 o
-8 10 2 145.14 205.19 174.41 o
-6 10 2 318.60 244.18 175.44 o
-4 10 2 124.11 327.28 126.19 o
-2 10 2 491.41 590.94 137.48 o
0 10 2 0.98 -48.22 123.11 o
2 10 2 5.12 86.18 123.11 o
4 10 2 13.03 -92.34 130.30 o
6 10 2 31.07 21.54 121.06 o
8 10 2 0.64 -70.79 134.40 o
10 10 2 240.44 249.30 161.07 o
-9 11 2 54.94 89.26 155.94 o
-7 11 2 8212.53 8784.15 228.79 o
-5 11 2 48627.15 51970.30 1577.90 o
-3 11 2 42923.64 43736.06 1374.77 o
-1 11 2 94812.27 87445.44 1030.05 o
1 11 2 7932.34 7935.69 166.20 o
3 11 2 31296.93 29318.45 307.78 o
5 11 2 87.24 124.14 133.37 o
7 11 2 31414.90 32258.80 321.12 o
9 11 2 29357.35 28963.47 1155.21 o
11 11 2 6311.90 5910.47 222.63 o
-10 12 2 65.01 153.89 169.28 o
-8 12 2 81.78 172.36 163.13 o
-6 12 2 262.41 290.34 207.24 o
-4 12 2 155.75 176.46 180.57 o
-2 12 2 562.68 674.05 146.71 o
0 12 2 203.91 190.83 143.63 o
2 12 2 179.55 175.44 147.74 o
4 12 2 162.20 173.38 142.61 o
6 12 2 256.42 298.55 134.40 o
8 12 2 1142.74 1006.45 141.58 o
10 12 2 250.98 251.36 155.94 o
12 12 2 75.44 143.63 200.06 o
-11 13 2 10293.41 10371.28 253.41 o
-9 13 2 4788.18 5223.09 205.19 o
-7 13 2 25941.99 25947.19 504.77 o
-5 13 2 21081.98 21884.44 568.37 o
-3 13 2 6002.23 6179.27 213.40 o
-1 13 2 346.18 482.19 142.61 o
1 13 2 17579.19 17153.81 211.34 o
3 13 2 51405.03 50663.24 471.93 o
5 13 2 38141.32 39436.32 466.81 o
7 13 2 554.71 623.77 132.35 o
9 13 2 32810.31 29011.69 1105.97 o
11 13 2 622.15 521.18 185.70 o
13 13 2 1709.79 1579.96 184.67 o
-12 14 2 10.00 -106.70 270.85 o
-10 14 2 36.96 -38.99 187.75 o
-8 14 2 13.43 -56.43 219.55 o
-6 14 2 1050.71 1181.89 189.80 o
-4 14 2 3.79 -3.08 152.87 o
-2 14 2 51.74 125.17 133.37 o
0 14 2 167.73 206.22 137.48 o
2 14 2 76.67 132.35 124.14 o
4 14 2 567.12 654.55 141.58 o
6 14 2 1304.82 1255.76 141.58 o
8 14 2 15.97 64.63 152.87 o
10 14 2 13.50 -148.76 178.51 o
12 14 2 410.55 337.54 191.85 o
-11 15 2 3664.35 3697.51 339.59 o
-9 15 2 8411.88 8040.33 424.74 o
-7 15 2 80.72 225.71 218.53 o
-5 15 2 654.84 715.08 165.18 o
-3 15 2 1701.90 1737.95 162.10 o
-1 15 2 25615.28 24766.33 335.48 o
1 15 2 26881.59 25755.34 248.28 o
3 15 2 3719.04 3899.62 163.13 o
5 15 2 6945.68 6758.93 161.07 o
7 15 2 135.56 311.89 151.84 o
9 15 2 1385.74 1463.00 162.10 o
11 15 2 316.25 335.48 171.33 o
-10 16 2 773.17 699.69 230.84 x
-8 16 2 11.45 115.93 180.57 o
-6 16 2 9.00 -42.06 226.73 o
-4 16 2 68.85 -3.08 216.47 o
-2 16 2 343.74 455.52 168.26 o
0 16 2 9.88 13.34 151.84 o
2 16 2 27.67 367.29 166.20 o
4 16 2 133.68 103.62 170.31 o
6 16 2 7.97 1.03 159.02 o
8 16 2 251.84 307.78 151.84 o
10 16 2 215.79 222.63 199.03 x
-9 17 2 67.21 -20.52 306.76 x
-7 17 2 642.65 458.60 212.37 o
-5 17 2 4364.20 4090.44 221.60 o
-3 17 2 3180.88 3364.08 178.51 o
-1 17 2 145.97 75.92 192.88 o
1 17 2 115.14 164.15 160.05 o
3 17 2 76.67 108.75 167.23 o
5 17 2 3390.74 3459.49 165.18 o
7 17 2 2663.95 2501.26 164.15 o
9 17 2 1670.59 1488.65 182.62 x
-6 18 2 337.58 367.29 285.21 x
-4 18 2 4.47 103.62 209.29 o
-2 18 2 130.14 174.41 180.57 o
0 18 2 50.16 10.26 186.72 o
2 18 2 41.07 91.31 152.87 o
4 18 2 448.25 251.36 154.92 o
6 18 2 31.06 -10.26 202.11 x
-3 19 2 644.30 912.07 216.47 x
-1 19 2 102.12 188.77 194.93 x
1 19 2 3699.58 3724.18 202.11 x
3 19 2 5877.30 5753.50 199.03 x
0 1 3 11721.04 14881.34 326.25 o
-1 2 3 40250.76 34232.72 482.19 o
1 2 3 1426.63 2136.02 184.67 o
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0 3 3 1362.92 1944.17 186.72 o
2 3 3 86367.83 83141.59 538.62 o
-3 4 3 16699.80 18381.87 268.80 o
-1 4 3 581.58 1474.28 331.38 o
1 4 3 306106.78 308359.22 1702.04 o
3 4 3 60217.96 55564.18 618.65 o
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0 5 3 23282.87 23033.50 287.26 o
2 5 3 5847.14 4682.42 173.38 o
4 5 3 5682.66 5888.93 166.20 o
-5 6 3 4294.70 5116.39 159.02 o
-3 6 3 2490.03 3452.31 161.07 o
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1 6 3 208.87 124.14 136.45 o
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4 9 3 8641.60 8131.64 164.15 o
6 9 3 13145.30 12518.59 205.19 o
8 9 3 9229.14 9817.27 300.60 o
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-1 10 3 4687.27 4457.73 156.97 o
1 10 3 2932.35 3065.53 135.42 o
3 10 3 10.50 -44.12 125.17 o
5 10 3 4545.42 4294.61 139.53 o
7 10 3 9850.77 9910.63 185.70 o
9 10 3 1547.56 1684.60 154.92 o
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-11 12 3 6687.42 6393.69 328.30 o
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1 12 3 2940.69 2700.29 158.00 o
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