#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/38/2013876.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_2013876_Fobs
loop_
_publ_author_name
'Vojnovi\'c, Marija'
'Jozi\'c, Dra\<zan'
'Ba\<sic, Ivan'
'Ron\<cevi\'c, Sanda'
'Planini\'c, Pavica'
_publ_section_title
;
 Tetrakis(tetramethylammonium)
 dodeca-\m-chloro-hexachloro-<i>octahedro</i>-hexatantalate chloride
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m33
_journal_page_last               m34
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   18.1781
_cell_length_b                   18.1781
_cell_length_c                   18.1781
_exptl_crystal_F_000             3732.00
_reflns_d_resolution_high        0.7607
_[local]_cod_data_source_file    sq1032Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     'compound in Fm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1982.92
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'x, z, y'
'y, x, z'
'z, y, x'
'x, -y, -z'
'z, -x, -y'
'y, -z, -x'
'x, -z, -y'
'y, -x, -z'
'z, -y, -x'
'-x, y, -z'
'-z, x, -y'
'-y, z, -x'
'-x, z, -y'
'-y, x, -z'
'-z, y, -x'
'-x, -y, z'
'-z, -x, y'
'-y, -z, x'
'-x, -z, y'
'-y, -x, z'
'-z, -y, x'
'x, y+1/2, z+1/2'
'z, x+1/2, y+1/2'
'y, z+1/2, x+1/2'
'x, z+1/2, y+1/2'
'y, x+1/2, z+1/2'
'z, y+1/2, x+1/2'
'x, -y+1/2, -z+1/2'
'z, -x+1/2, -y+1/2'
'y, -z+1/2, -x+1/2'
'x, -z+1/2, -y+1/2'
'y, -x+1/2, -z+1/2'
'z, -y+1/2, -x+1/2'
'-x, y+1/2, -z+1/2'
'-z, x+1/2, -y+1/2'
'-y, z+1/2, -x+1/2'
'-x, z+1/2, -y+1/2'
'-y, x+1/2, -z+1/2'
'-z, y+1/2, -x+1/2'
'-x, -y+1/2, z+1/2'
'-z, -x+1/2, y+1/2'
'-y, -z+1/2, x+1/2'
'-x, -z+1/2, y+1/2'
'-y, -x+1/2, z+1/2'
'-z, -y+1/2, x+1/2'
'x+1/2, y, z+1/2'
'z+1/2, x, y+1/2'
'y+1/2, z, x+1/2'
'x+1/2, z, y+1/2'
'y+1/2, x, z+1/2'
'z+1/2, y, x+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, -x, -y+1/2'
'y+1/2, -z, -x+1/2'
'x+1/2, -z, -y+1/2'
'y+1/2, -x, -z+1/2'
'z+1/2, -y, -x+1/2'
'-x+1/2, y, -z+1/2'
'-z+1/2, x, -y+1/2'
'-y+1/2, z, -x+1/2'
'-x+1/2, z, -y+1/2'
'-y+1/2, x, -z+1/2'
'-z+1/2, y, -x+1/2'
'-x+1/2, -y, z+1/2'
'-z+1/2, -x, y+1/2'
'-y+1/2, -z, x+1/2'
'-x+1/2, -z, y+1/2'
'-y+1/2, -x, z+1/2'
'-z+1/2, -y, x+1/2'
'x+1/2, y+1/2, z'
'z+1/2, x+1/2, y'
'y+1/2, z+1/2, x'
'x+1/2, z+1/2, y'
'y+1/2, x+1/2, z'
'z+1/2, y+1/2, x'
'x+1/2, -y+1/2, -z'
'z+1/2, -x+1/2, -y'
'y+1/2, -z+1/2, -x'
'x+1/2, -z+1/2, -y'
'y+1/2, -x+1/2, -z'
'z+1/2, -y+1/2, -x'
'-x+1/2, y+1/2, -z'
'-z+1/2, x+1/2, -y'
'-y+1/2, z+1/2, -x'
'-x+1/2, z+1/2, -y'
'-y+1/2, x+1/2, -z'
'-z+1/2, y+1/2, -x'
'-x+1/2, -y+1/2, z'
'-z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, x'
'-x+1/2, -z+1/2, y'
'-y+1/2, -x+1/2, z'
'-z+1/2, -y+1/2, x'
'-x, -y, -z'
'-z, -x, -y'
'-y, -z, -x'
'-x, -z, -y'
'-y, -x, -z'
'-z, -y, -x'
'-x, y, z'
'-z, x, y'
'-y, z, x'
'-x, z, y'
'-y, x, z'
'-z, y, x'
'x, -y, z'
'z, -x, y'
'y, -z, x'
'x, -z, y'
'y, -x, z'
'z, -y, x'
'x, y, -z'
'z, x, -y'
'y, z, -x'
'x, z, -y'
'y, x, -z'
'z, y, -x'
'-x, -y+1/2, -z+1/2'
'-z, -x+1/2, -y+1/2'
'-y, -z+1/2, -x+1/2'
'-x, -z+1/2, -y+1/2'
'-y, -x+1/2, -z+1/2'
'-z, -y+1/2, -x+1/2'
'-x, y+1/2, z+1/2'
'-z, x+1/2, y+1/2'
'-y, z+1/2, x+1/2'
'-x, z+1/2, y+1/2'
'-y, x+1/2, z+1/2'
'-z, y+1/2, x+1/2'
'x, -y+1/2, z+1/2'
'z, -x+1/2, y+1/2'
'y, -z+1/2, x+1/2'
'x, -z+1/2, y+1/2'
'y, -x+1/2, z+1/2'
'z, -y+1/2, x+1/2'
'x, y+1/2, -z+1/2'
'z, x+1/2, -y+1/2'
'y, z+1/2, -x+1/2'
'x, z+1/2, -y+1/2'
'y, x+1/2, -z+1/2'
'z, y+1/2, -x+1/2'
'-x+1/2, -y, -z+1/2'
'-z+1/2, -x, -y+1/2'
'-y+1/2, -z, -x+1/2'
'-x+1/2, -z, -y+1/2'
'-y+1/2, -x, -z+1/2'
'-z+1/2, -y, -x+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, x, y+1/2'
'-y+1/2, z, x+1/2'
'-x+1/2, z, y+1/2'
'-y+1/2, x, z+1/2'
'-z+1/2, y, x+1/2'
'x+1/2, -y, z+1/2'
'z+1/2, -x, y+1/2'
'y+1/2, -z, x+1/2'
'x+1/2, -z, y+1/2'
'y+1/2, -x, z+1/2'
'z+1/2, -y, x+1/2'
'x+1/2, y, -z+1/2'
'z+1/2, x, -y+1/2'
'y+1/2, z, -x+1/2'
'x+1/2, z, -y+1/2'
'y+1/2, x, -z+1/2'
'z+1/2, y, -x+1/2'
'-x+1/2, -y+1/2, -z'
'-z+1/2, -x+1/2, -y'
'-y+1/2, -z+1/2, -x'
'-x+1/2, -z+1/2, -y'
'-y+1/2, -x+1/2, -z'
'-z+1/2, -y+1/2, -x'
'-x+1/2, y+1/2, z'
'-z+1/2, x+1/2, y'
'-y+1/2, z+1/2, x'
'-x+1/2, z+1/2, y'
'-y+1/2, x+1/2, z'
'-z+1/2, y+1/2, x'
'x+1/2, -y+1/2, z'
'z+1/2, -x+1/2, y'
'y+1/2, -z+1/2, x'
'x+1/2, -z+1/2, y'
'y+1/2, -x+1/2, z'
'z+1/2, -y+1/2, x'
'x+1/2, y+1/2, -z'
'z+1/2, x+1/2, -y'
'y+1/2, z+1/2, -x'
'x+1/2, z+1/2, -y'
'y+1/2, x+1/2, -z'
'z+1/2, y+1/2, -x'
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 0 2 2059618.00 1627007.25 182875.84 o
0 2 2 363293.38 497189.25 39122.09 o
2 2 2 13911.90 18097.46 1186.83 o
1 3 3 137592.89 198744.44 12509.95 o
0 0 4 242448.89 186601.22 15918.08 o
0 2 4 2490.31 -652.68 652.68 o
2 2 4 141783.81 153681.69 8647.36 o
0 4 4 44905.05 42809.34 2591.87 o
2 4 4 346507.88 353340.31 14101.05 o
4 4 4 337760.25 355640.53 8534.74 o
1 1 5 75328.24 83079.91 10410.12 o
1 3 5 194964.72 196566.23 3742.26 o
3 3 5 368092.28 367760.66 18478.77 o
1 5 5 412420.97 432273.50 28798.20 o
3 5 5 903306.38 895373.31 41417.81 o
5 5 5 970495.31 870772.44 20044.49 o
0 0 6 1380118.13 1554681.63 84801.46 o
0 2 6 108906.41 98433.07 1929.75 o
2 2 6 221205.59 216215.73 6836.06 o
0 4 6 98314.04 102906.02 2990.28 o
2 4 6 408786.13 434408.09 13191.02 o
4 4 6 868890.19 808897.81 19790.43 o
0 6 6 21462.65 17975.22 1048.96 o
2 6 6 230922.84 217421.22 6100.19 o
4 6 6 806392.56 788120.56 17361.89 o
6 6 6 586296.69 576459.00 12832.74 o
1 1 7 1341476.75 1386336.50 86956.65 o
1 3 7 20471.41 22209.74 617.22 o
3 3 7 218799.95 229029.39 12414.57 o
1 5 7 736.84 -285.80 1290.91 o
3 5 7 418326.78 442760.56 10734.79 o
5 5 7 503271.28 462173.94 20170.04 o
1 7 7 654780.25 679906.19 31308.27 o
3 7 7 685.78 -492.69 2576.65 o
5 7 7 9216.92 9413.44 1763.06 o
7 7 7 371197.34 343545.31 11210.21 o
0 0 8 3931974.00 3967241.50 137318.44 o
0 2 8 1096373.75 1149076.88 34959.54 o
2 2 8 193359.03 183961.95 12018.30 o
0 4 8 227031.31 232092.41 5659.12 o
2 4 8 6603.43 3728.25 845.01 o
4 4 8 80477.43 83432.04 4138.86 o
0 6 8 714881.63 722123.75 24394.79 o
2 6 8 37626.14 33763.44 769.96 o
4 6 8 82390.73 85257.47 1904.70 o
6 6 8 4876.15 -1260.27 3041.00 o
0 8 8 2640637.00 2493967.00 99136.19 o
2 8 8 656285.13 674824.69 28778.96 o
4 8 8 85954.98 76880.02 2999.40 o
6 8 8 401683.19 372497.19 10974.10 o
8 8 8 1583323.88 1308302.00 31542.90 o
1 1 9 1413155.38 1389888.63 86908.44 o
1 3 9 154935.83 162254.13 2071.28 o
3 3 9 1959.91 1614.02 1330.25 o
1 5 9 87317.13 89348.51 1667.51 o
3 5 9 31880.62 31711.45 776.18 o
5 5 9 146748.14 149888.02 3354.24 o
1 7 9 780454.88 838786.63 24026.33 o
3 7 9 44006.96 44938.83 1784.11 o
5 7 9 7568.79 10382.47 798.01 o
7 7 9 445596.03 426237.91 9740.09 o
1 9 9 916951.31 966742.75 50743.81 o
3 9 9 187674.73 202035.30 6969.48 o
5 9 9 107207.13 106462.71 2393.50 o
7 9 9 573850.25 552678.50 12714.66 o
9 9 9 732618.25 691649.56 17251.02 o
0 0 10 1259321.00 1287693.88 59772.91 o
0 2 10 350036.59 365994.19 4387.86 o
2 2 10 32369.24 36285.28 1778.89 o
0 4 10 34005.38 41485.31 835.95 o
2 4 10 397.68 203.81 1237.30 o
4 4 10 40704.20 40343.25 3014.52 o
0 6 10 133098.53 128549.54 4423.39 o
2 6 10 7177.86 5639.19 1264.50 o
4 6 10 73928.66 78092.30 2126.28 o
6 6 10 59588.34 59519.25 1516.66 o
0 8 10 744644.94 729985.88 23235.54 o
2 8 10 224982.81 213513.86 7387.94 o
4 8 10 18633.50 20040.74 900.71 o
6 8 10 74094.55 78729.30 1544.23 o
8 8 10 512011.53 482965.94 21547.65 o
0 10 10 420789.56 426168.91 9219.98 o
2 10 10 112146.77 105804.26 3810.29 o
4 10 10 30099.28 32606.86 2172.73 o
6 10 10 14654.33 13255.94 3192.39 o
8 10 10 255717.91 268615.56 4565.78 o
10 10 10 199885.98 198556.89 6304.04 o
1 1 11 204893.72 223681.06 11050.76 o
1 3 11 3331.36 1581.30 830.90 o
3 3 11 9928.63 10060.58 2539.79 o
1 5 11 13743.29 14638.58 741.00 o
3 5 11 86735.83 89305.34 1572.90 o
5 5 11 217352.08 201584.05 3990.14 o
1 7 11 88212.09 94263.23 3311.98 o
3 7 11 36047.15 37860.10 1264.84 o
5 7 11 84403.25 83121.95 1429.81 o
7 7 11 14038.07 14835.71 1243.24 o
1 9 11 238644.44 254002.59 3020.79 o
3 9 11 25054.53 26444.12 954.57 o
5 9 11 431.82 -999.34 1528.07 o
7 9 11 83455.65 81182.30 1387.90 o
9 9 11 223758.70 224141.47 7694.33 o
1 11 11 27086.85 25187.55 1398.77 o
3 11 11 19655.48 21332.14 1640.15 o
5 11 11 2941.61 3008.66 2224.98 o
7 11 11 875.05 -1492.89 1983.44 o
9 11 11 78093.27 81254.73 2568.19 o
11 11 11 45108.97 39959.64 3483.33 o
0 0 12 397497.44 355086.25 17016.84 o
0 2 12 12044.84 16506.16 818.31 o
2 2 12 22259.06 22553.11 1150.15 o
0 4 12 19750.37 19425.74 816.56 o
2 4 12 130186.05 134594.63 2340.41 o
4 4 12 194379.88 184841.81 10993.68 o
0 6 12 7702.58 7650.46 1169.39 o
2 6 12 127146.91 133907.97 1760.20 o
4 6 12 337753.75 322010.81 8346.67 o
6 6 12 282697.47 274424.38 5526.04 o
0 8 12 160411.88 151375.80 3996.72 o
2 8 12 3968.04 4919.93 1165.89 o
4 8 12 18294.16 17217.11 925.09 o
6 8 12 11133.69 11709.20 1321.30 o
8 8 12 120578.88 135008.88 2384.62 o
0 10 12 66325.77 68744.84 1288.85 o
2 10 12 3768.68 4518.05 1050.88 o
4 10 12 10687.22 11883.70 1807.04 o
6 10 12 18777.64 18964.05 1009.86 o
8 10 12 33338.70 31530.30 1133.02 o
10 10 12 44022.47 47760.57 2047.15 o
0 12 12 160.61 28.00 1938.10 o
2 12 12 43434.09 43508.76 1709.16 o
4 12 12 97724.77 101167.04 2222.27 o
6 12 12 148756.73 152732.28 2734.46 o
8 12 12 4893.63 -4578.30 4578.30 o
10 12 12 671.11 1890.91 2260.09 o
12 12 12 37179.96 33834.87 3499.22 o
1 1 13 31844.63 32175.50 1437.08 o
1 3 13 112155.77 116315.26 2668.38 o
3 3 13 362430.69 377924.84 7593.58 o
1 5 13 183187.31 182038.84 3038.97 o
3 5 13 527367.88 515945.53 9618.06 o
5 5 13 745669.19 741301.19 25405.95 o
1 7 13 2141.40 3578.31 1122.88 o
3 7 13 201279.38 198294.05 4146.79 o
5 7 13 290675.88 283532.59 5122.21 o
7 7 13 5972.41 5757.69 2039.60 o
1 9 13 42542.21 43603.86 1518.89 o
3 9 13 37753.97 40168.42 1141.05 o
5 9 13 74705.05 71111.71 2267.77 o
7 9 13 5396.71 5150.90 1688.20 o
9 9 13 45203.32 49174.72 1933.77 o
1 11 13 14466.89 14882.54 1789.45 o
3 11 13 101276.48 97869.01 1653.16 o
5 11 13 185604.91 181927.30 2275.66 o
7 11 13 53526.23 55260.16 1465.38 o
9 11 13 403.03 164.42 1542.37 o
11 11 13 16673.97 18063.81 2160.98 o
1 13 13 117239.88 123133.91 3340.08 o
3 13 13 358861.56 356897.84 6858.17 o
5 13 13 453835.56 440239.38 18315.05 o
7 13 13 160327.13 159041.88 4666.81 o
9 13 13 54457.18 58654.71 2288.55 o
11 13 13 146889.53 145386.88 3202.14 o
13 13 13 303904.22 341677.72 9819.15 o
0 0 14 367892.50 416688.69 26596.05 o
0 2 14 11593.70 13301.28 2009.22 o
2 2 14 115072.86 116749.36 5193.67 o
0 4 14 102366.22 113503.88 2220.83 o
2 4 14 374722.56 382153.09 9714.91 o
4 4 14 689355.44 660122.25 17519.15 o
0 6 14 108.63 54.66 1250.63 o
2 6 14 232572.31 230663.70 4110.14 o
4 6 14 553225.50 532555.81 20686.53 o
6 6 14 273702.28 257086.22 4207.15 o
0 8 14 264021.56 258307.16 4350.83 o
2 8 14 2011.22 3381.47 1307.73 o
4 8 14 106938.54 109543.98 1578.25 o
6 8 14 2590.96 976.60 1319.12 o
8 8 14 152617.34 154662.86 3351.39 o
0 10 14 19864.44 23013.90 1045.79 o
2 10 14 24002.37 25661.77 1089.41 o
4 10 14 119833.51 118625.94 2373.85 o
6 10 14 79466.80 83237.93 1723.36 o
8 10 14 11911.18 12677.58 2196.81 o
10 10 14 846.44 -387.57 3251.61 o
0 12 14 29687.07 27819.22 1246.94 o
2 12 14 151610.34 148661.88 1997.65 o
4 12 14 323028.31 332418.00 4045.73 o
6 12 14 249031.13 251079.41 4767.60 o
8 12 14 27863.50 27863.45 1349.49 o
10 12 14 47822.71 48303.16 1529.35 o
12 12 14 162477.53 164103.78 3424.02 o
0 14 14 2624.81 3975.28 1868.96 o
2 14 14 161594.14 155348.63 8355.48 o
4 14 14 422282.03 406491.78 13231.47 o
6 14 14 225298.45 247619.44 4972.91 o
8 14 14 8818.26 5458.69 2022.89 o
10 14 14 70863.74 74980.55 4295.92 o
12 14 14 201010.41 209370.08 3844.10 o
1 1 15 301112.41 289546.97 8692.52 o
1 3 15 4203.75 4624.95 1505.89 o
3 3 15 234194.25 249215.09 8151.21 o
1 5 15 14723.89 14057.37 933.44 o
3 5 15 312064.16 310503.78 7805.04 o
5 5 15 402803.19 412966.06 13704.30 o
1 7 15 153180.06 158836.64 5310.71 o
3 7 15 20958.28 21316.89 1044.59 o
5 7 15 46685.18 47450.49 1241.81 o
7 7 15 75590.18 82257.11 2154.78 o
1 9 15 213139.42 206622.19 4621.79 o
3 9 15 37.05 -1412.78 1412.78 o
5 9 15 4921.45 4213.98 1628.48 o
7 9 15 118003.58 122386.34 1918.12 o
9 9 15 173266.95 176820.02 3460.21 o
1 11 15 5960.07 2717.10 1388.65 o
3 11 15 70685.84 69069.96 1580.66 o
5 11 15 111978.52 111253.77 1898.35 o
7 11 15 1312.25 2362.83 1739.53 o
9 11 15 9115.61 10565.69 2191.06 o
11 11 15 9303.98 13025.61 1760.20 o
1 13 15 7012.49 4751.91 3110.02 o
3 13 15 190472.34 194443.91 3035.41 o
5 13 15 234327.97 226698.75 7128.56 o
7 13 15 22091.03 21282.09 2343.63 o
9 13 15 2240.60 -3292.82 3501.62 o
11 13 15 71751.59 74185.77 1891.71 o
13 13 15 145578.30 162566.02 6530.22 o
1 15 15 30195.57 33711.57 2024.40 o
3 15 15 44976.74 42203.14 9231.03 o
5 15 15 58059.26 59952.89 5100.24 o
7 15 15 13047.66 16528.92 1870.45 o
9 15 15 24475.45 27059.19 2163.61 o
11 15 15 11197.62 11314.08 2815.45 o
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