#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2013703.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_2013703_Fobs
loop_
_publ_author_name
'Lin, Bi-Zhou'
'Pei, Xiao-Ke'
'Liu, Pei-De'
_publ_section_title
;
 Tetraaquacobalt(II) bis[vanadyl(IV) phosphate],
 [Co(H~2~O)~4~][VO(PO~4~)]~2~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i97
_journal_page_last               i99
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.3070
_cell_length_b                   6.3070
_cell_length_c                   13.6150
_exptl_crystal_F_000             446.00
_reflns_d_resolution_high        0.7704
_[local]_cod_data_source_file    ta1416Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' a in I4/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            172.47
_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'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
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 1 0 3738.90 3591.60 83.00 o
0 2 0 24489.25 26591.73 349.88 o
2 2 0 14989.31 14293.64 704.08 o
-1 3 0 12174.96 12731.78 628.08 o
1 3 0 11061.64 12343.23 102.29 o
3 3 0 8322.42 8218.62 336.24 o
-2 4 0 9222.43 9089.36 298.88 o
0 4 0 28157.34 28307.95 933.63 o
2 4 0 12949.99 13233.73 295.04 o
4 4 0 10361.95 9909.44 417.20 o
-3 5 0 1166.26 1183.48 34.44 o
-1 5 0 1343.26 1226.35 58.79 o
1 5 0 20.40 32.71 8.28 o
3 5 0 2588.16 2700.15 25.22 o
5 5 0 16.68 20.19 5.66 o
-4 6 0 9656.72 9648.87 280.86 o
-2 6 0 5639.04 5616.13 57.52 o
0 6 0 12808.36 11887.55 789.07 o
2 6 0 7619.46 7547.33 22.01 o
4 6 0 4730.75 4961.78 178.73 o
-3 7 0 1329.59 1375.73 27.13 o
-1 7 0 1623.25 1498.68 69.10 o
1 7 0 1380.00 1428.80 54.90 o
3 7 0 1875.95 1901.38 37.31 o
0 8 0 3525.21 3295.76 142.15 o
0 1 1 1861.87 1781.18 37.86 o
-1 2 1 494.56 456.79 18.24 o
1 2 1 8384.79 9284.24 98.64 o
-2 3 1 879.93 862.90 21.47 o
0 3 1 2.53 9.41 10.90 o
2 3 1 2221.79 2198.21 38.30 o
-3 4 1 5.22 3.42 3.42 o
-1 4 1 2341.68 2115.95 229.91 o
1 4 1 301.02 282.19 7.49 o
3 4 1 48.31 43.00 2.62 o
-4 5 1 377.43 362.17 16.37 o
-2 5 1 1193.37 1118.60 47.81 o
0 5 1 493.53 446.11 18.80 o
2 5 1 757.56 729.30 26.31 o
4 5 1 748.69 747.48 45.52 o
-5 6 1 37.79 38.17 5.66 o
-3 6 1 154.76 164.23 9.29 o
-1 6 1 2.96 4.65 5.25 o
1 6 1 491.17 511.30 12.75 o
3 6 1 80.20 81.79 8.49 o
5 6 1 60.96 68.05 5.86 o
-4 7 1 3.16 10.29 7.28 o
-2 7 1 99.08 111.09 5.25 o
0 7 1 67.54 59.36 7.66 o
2 7 1 20.60 25.85 4.65 o
4 7 1 21.31 21.81 7.07 o
-1 8 1 180.65 196.14 14.15 o
1 8 1 225.93 226.05 19.99 o
0 0 2 11022.63 10801.58 175.21 o
1 1 2 748.63 652.38 21.15 o
0 2 2 14860.97 17358.54 614.29 o
2 2 2 67.78 110.70 8.28 o
-1 3 2 201.03 203.55 12.95 o
1 3 2 430.07 383.00 9.71 o
3 3 2 1102.46 1230.97 52.69 o
-2 4 2 1574.94 1665.41 69.41 o
0 4 2 5361.77 5882.63 189.61 o
2 4 2 3438.28 3775.95 132.54 o
4 4 2 2977.13 3030.31 121.53 o
-3 5 2 168.59 160.00 8.70 o
-1 5 2 572.91 532.36 23.47 o
1 5 2 263.89 267.76 9.09 o
3 5 2 275.10 264.51 13.74 o
5 5 2 224.20 211.32 17.78 o
-4 6 2 2346.71 2435.20 45.26 o
-2 6 2 2226.27 2032.88 210.94 o
0 6 2 3380.26 3184.18 191.46 o
2 6 2 1807.65 1815.64 60.24 o
4 6 2 1490.04 1489.81 56.12 o
-3 7 2 11.73 11.11 6.25 o
-1 7 2 79.13 66.05 5.04 o
1 7 2 95.26 104.23 8.69 o
3 7 2 344.91 351.80 28.28 o
0 8 2 1296.07 1225.26 48.19 o
0 1 3 9884.56 10390.93 477.25 o
-1 2 3 189.11 246.88 26.67 o
1 2 3 243.54 152.06 4.84 o
-2 3 3 1933.06 1884.61 95.60 o
0 3 3 10319.61 11313.13 495.09 o
2 3 3 4458.11 4476.76 153.03 o
-3 4 3 912.39 831.52 86.85 o
-1 4 3 4460.27 4146.53 132.23 o
1 4 3 408.37 350.22 12.13 o
3 4 3 4051.81 3961.28 242.53 o
-4 5 3 762.98 772.76 30.35 o
-2 5 3 10.11 13.94 3.83 o
0 5 3 919.25 891.28 38.27 o
2 5 3 24.67 23.64 4.24 o
4 5 3 218.77 255.37 13.74 o
-5 6 3 332.49 331.17 20.61 o
-3 6 3 2181.97 2182.24 79.76 o
-1 6 3 1105.92 1061.02 50.00 o
1 6 3 711.46 533.62 189.95 o
3 6 3 1906.71 1855.15 87.62 o
5 6 3 62.10 72.71 6.66 o
-4 7 3 964.72 1015.23 33.57 o
-2 7 3 277.72 313.57 8.70 o
0 7 3 2277.58 2124.91 131.31 o
2 7 3 880.68 935.27 46.12 o
4 7 3 603.75 667.95 25.46 o
-1 8 3 254.71 263.65 12.74 o
1 8 3 3.49 8.87 5.66 o
0 0 4 29745.28 25058.47 319.62 o
1 1 4 1486.20 1427.95 48.90 o
0 2 4 6836.01 6986.91 334.46 o
2 2 4 16833.38 17712.00 1046.18 o
-1 3 4 628.52 532.41 31.17 o
1 3 4 2104.37 2032.45 90.42 o
3 3 4 92.35 91.91 7.28 o
-2 4 4 7369.27 7361.01 437.27 o
0 4 4 8174.24 8220.04 364.19 o
2 4 4 6143.28 6181.97 308.27 o
4 4 4 4445.13 4498.13 293.72 o
-3 5 4 376.00 397.16 22.24 o
-1 5 4 827.12 812.20 14.56 o
1 5 4 150.79 139.98 7.08 o
3 5 4 732.22 699.15 88.40 o
5 5 4 151.84 173.10 17.78 o
-4 6 4 3244.97 3137.53 401.20 o
-2 6 4 3318.43 3289.52 184.99 o
0 6 4 4050.28 3952.44 220.48 o
2 6 4 4144.69 4110.19 207.79 o
4 6 4 2954.39 3009.80 180.65 o
-3 7 4 102.05 117.76 10.29 o
-1 7 4 62.25 62.81 13.12 o
1 7 4 354.67 335.66 16.37 o
3 7 4 8.23 9.28 6.25 o
0 1 5 546.11 771.18 47.81 o
-1 2 5 16.71 33.92 6.07 o
1 2 5 2271.33 2600.24 126.29 o
-2 3 5 62.97 91.08 7.87 o
0 3 5 3459.27 4170.16 315.20 o
2 3 5 27.67 22.61 3.03 o
-3 4 5 843.79 983.66 34.21 o
-1 4 5 50.67 55.33 15.74 o
1 4 5 113.22 118.37 7.49 o
3 4 5 1086.85 1135.61 74.93 o
-4 5 5 9.11 13.32 5.45 o
-2 5 5 432.01 415.82 20.21 o
0 5 5 35.80 57.35 6.87 o
2 5 5 78.73 70.09 4.84 o
4 5 5 121.15 126.23 9.70 o
-5 6 5 156.10 158.57 12.32 o
-3 6 5 239.33 220.61 11.53 o
-1 6 5 712.14 619.14 92.22 o
1 6 5 0.09 3.03 6.07 o
3 6 5 356.50 359.11 27.49 o
5 6 5 49.56 43.83 8.49 o
-2 7 5 78.15 71.09 6.46 o
0 7 5 416.34 419.38 26.28 o
2 7 5 362.98 339.90 15.96 o
0 0 6 8879.91 9974.75 64.66 o
1 1 6 1362.35 1213.70 60.57 o
0 2 6 1042.41 1217.65 77.89 o
2 2 6 1367.86 1689.30 87.06 o
-1 3 6 4047.97 3914.75 320.98 o
1 3 6 4191.47 4362.24 308.84 o
3 3 6 3704.59 3723.40 200.50 o
-2 4 6 1110.51 1152.04 44.97 o
0 4 6 100.46 83.22 18.57 o
2 4 6 530.92 592.55 38.84 o
4 4 6 231.51 224.87 15.16 o
-3 5 6 629.21 621.85 37.01 o
-1 5 6 715.71 708.69 48.16 o
1 5 6 15.43 15.56 5.25 o
3 5 6 1477.70 1531.61 98.69 o
5 5 6 3.98 10.90 6.66 o
-4 6 6 1.70 6.45 5.45 o
-2 6 6 725.86 699.63 40.44 o
0 6 6 5.78 8.87 8.28 o
2 6 6 269.52 277.60 18.19 o
4 6 6 476.54 449.13 28.29 o
-3 7 6 750.68 823.28 40.05 o
-1 7 6 899.43 899.88 69.18 o
1 7 6 837.05 883.37 70.80 o
3 7 6 995.28 1000.31 68.39 o
0 1 7 12419.29 12661.15 790.73 o
-1 2 7 5061.20 4696.89 310.52 o
1 2 7 9018.52 8773.57 386.63 o
-2 3 7 5774.38 5815.78 283.68 o
0 3 7 7198.64 6921.44 522.89 o
2 3 7 8184.95 8490.02 583.89 o
-3 4 7 2490.95 2507.48 137.18 o
-1 4 7 7580.45 7340.81 488.43 o
1 4 7 3843.89 3546.44 340.37 o
3 4 7 4086.30 4147.25 271.83 o
-4 5 7 2612.11 2625.84 189.29 o
-2 5 7 2882.42 2976.50 156.80 o
0 5 7 3507.96 3579.14 149.17 o
2 5 7 2607.54 2630.83 213.20 o
4 5 7 2629.76 2694.20 188.49 o
-3 6 7 2788.94 2786.07 154.38 o
-1 6 7 2067.09 1958.44 139.17 o
1 6 7 2829.39 2743.29 123.78 o
3 6 7 2494.84 2421.74 199.97 o
-2 7 7 1547.19 1611.01 86.09 o
0 7 7 2576.95 2296.54 127.91 o
2 7 7 1730.70 1744.73 101.53 o
0 0 8 1782.56 1583.28 6.11 o
1 1 8 578.32 460.97 39.25 o
0 2 8 1992.50 1952.05 119.58 o
2 2 8 12025.90 11492.50 864.98 o
-1 3 8 347.86 406.30 28.29 o
1 3 8 91.17 70.10 6.87 o
3 3 8 1124.20 1106.51 73.13 o
-2 4 8 4502.47 4213.44 485.71 o
0 4 8 1561.97 1535.28 128.58 o
2 4 8 2314.37 2483.11 140.40 o
4 4 8 1332.52 1306.07 111.80 o
-3 5 8 32.74 39.58 6.46 o
-1 5 8 288.30 233.19 53.94 o
1 5 8 234.69 224.66 13.53 o
3 5 8 47.36 47.04 15.56 o
5 5 8 157.36 174.11 18.57 o
-4 6 8 538.79 578.54 42.45 o
-2 6 8 1496.25 1586.84 95.21 o
0 6 8 696.97 694.10 40.05 o
2 6 8 1742.63 1839.85 128.51 o
4 6 8 1401.39 1406.96 108.14 o
-1 7 8 281.92 266.50 27.48 o
1 7 8 5.34 8.49 6.87 o
0 1 9 287.13 369.48 24.04 o
-1 2 9 3218.53 3303.62 235.63 o
1 2 9 1931.32 2079.87 140.79 o
-2 3 9 708.44 712.99 60.30 o
0 3 9 57.83 91.70 10.91 o
2 3 9 167.61 215.35 22.23 o
-3 4 9 880.55 861.61 79.53 o
-1 4 9 119.36 99.17 29.48 o
1 4 9 1306.78 1214.51 102.73 o
3 4 9 111.17 97.36 15.95 o
-4 5 9 441.19 439.39 38.61 o
-2 5 9 1589.73 1476.25 110.45 o
0 5 9 712.03 731.20 51.19 o
2 5 9 1504.87 1521.74 138.99 o
4 5 9 727.38 620.06 56.43 o
-3 6 9 64.07 53.73 5.25 o
-1 6 9 474.03 444.28 21.83 o
1 6 9 480.22 401.65 30.33 o
3 6 9 112.02 100.37 20.19 o
0 7 9 48.03 22.43 13.73 o
0 0 10 1359.19 1401.28 55.56 o
1 1 10 2012.95 1686.74 267.61 o
0 2 10 310.04 324.18 23.45 o
2 2 10 58.87 77.14 6.07 o
-1 3 10 2510.94 2457.26 226.29 o
1 3 10 3088.45 3087.30 336.60 o
3 3 10 2114.45 2185.55 201.57 o
-2 4 10 137.70 135.34 12.73 o
0 4 10 41.05 57.35 43.00 o
2 4 10 90.74 37.76 42.62 o
4 4 10 31.14 36.34 12.73 o
-3 5 10 1036.80 1055.18 97.74 o
-1 5 10 1372.57 1385.53 134.90 o
1 5 10 340.85 296.64 77.60 o
3 5 10 1703.51 1631.08 208.94 o
-2 6 10 153.05 147.04 7.49 o
0 6 10 1.65 2.42 5.04 o
2 6 10 28.27 27.06 6.66 o
0 1 11 2802.61 2921.48 171.41 o
-1 2 11 3990.96 3946.16 301.94 o
1 2 11 7923.89 7664.84 575.81 o
-2 3 11 2602.69 2593.50 261.17 o
0 3 11 466.70 495.11 52.96 o
2 3 11 3395.61 3332.11 294.05 o
-3 4 11 821.98 822.72 92.24 o
-1 4 11 3243.65 2850.93 408.21 o
1 4 11 2302.88 2229.98 220.70 o
3 4 11 578.90 591.58 67.13 o
-4 5 11 1728.78 1670.85 171.22 o
-2 5 11 4355.53 4368.04 367.51 o
0 5 11 2066.55 2140.35 208.13 o
2 5 11 3176.01 3419.74 275.28 o
4 5 11 2917.14 2787.65 229.11 o
-1 6 11 562.25 586.04 46.09 o
1 6 11 2068.94 2012.82 289.18 o
0 0 12 4610.12 4442.17 131.50 o
1 1 12 433.03 444.13 40.42 o
0 2 12 522.16 496.39 57.01 o
2 2 12 841.38 859.77 84.79 o
-1 3 12 147.36 159.78 22.82 o
1 3 12 50.97 48.87 6.25 o
3 3 12 130.19 119.36 13.12 o
-2 4 12 400.08 504.24 47.90 o
0 4 12 1319.61 1276.01 147.45 o
2 4 12 466.21 490.98 50.74 o
4 4 12 434.11 484.65 56.19 o
-3 5 12 275.27 230.11 24.44 o
-1 5 12 279.74 254.18 22.03 o
1 5 12 1044.13 927.90 123.84 o
3 5 12 92.00 64.02 23.84 o
0 6 12 673.58 612.86 51.35 o
0 1 13 82.97 65.44 19.19 o
-1 2 13 337.85 321.93 42.24 o
1 2 13 89.66 93.71 29.30 o
-2 3 13 7.23 8.87 5.45 o
0 3 13 133.81 121.19 7.49 o
2 3 13 41.58 41.00 13.73 o
-3 4 13 72.90 66.85 9.49 o
-1 4 13 69.10 96.73 18.39 o
1 4 13 109.00 87.87 32.10 o
3 4 13 41.40 42.62 10.49 o
-2 5 13 314.37 295.60 25.66 o
0 5 13 40.55 32.51 8.69 o
2 5 13 262.69 242.05 19.19 o
0 0 14 96.80 107.65 3.83 o
1 1 14 5319.88 5445.95 340.22 o
0 2 14 97.09 56.15 39.59 o
2 2 14 2060.26 1766.93 284.82 o
-1 3 14 2213.67 1816.68 333.19 o
1 3 14 3844.92 4065.93 300.57 o
3 3 14 1026.44 1198.17 116.95 o
-2 4 14 710.88 819.41 81.69 o
0 4 14 72.01 72.30 11.11 o
2 4 14 228.83 266.86 19.99 o
0 1 15 886.11 935.37 67.59 o
-1 2 15 259.74 308.11 21.61 o
1 2 15 743.27 850.06 97.68 o
-2 3 15 530.22 628.46 75.61 o
0 3 15 633.13 724.47 101.69 o
2 3 15 899.26 1028.51 78.89 o
-1 4 15 878.86 634.56 299.59 o
1 4 15 285.52 316.40 77.17 o
0 0 16 985.09 1025.33 28.12 o
1 1 16 1870.56 1695.45 142.73 o
0 2 16 42.01 31.09 10.29 o
2 2 16 82.39 67.05 13.94 o
-1 3 16 767.42 482.35 198.20 o
1 3 16 780.59 730.51 84.12 o
0 1 17 4.04 5.45 3.24 o
-1 2 17 42.46 38.96 5.25 o
1 2 17 424.04 426.62 8.08 o