#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/65/2206578.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_2206578_Fobs
loop_
_publ_author_name
'Ouarsal, Rachid'
'El Bali, Brahim'
'Lachkar, Mohammed'
'Dusek, Michal'
'Fejfarova, Karla'
_publ_section_title
;
 Diammonium tris[hexaaquacobalt(II)] tetrakis[hydrogenphosphate(III)],
 (NH~4~)~2~[Co(H~2~O)~6~]~3~(HPO~3~)~4~
;
_journal_coeditor_code           WM6079
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i168
_journal_page_last               i170
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.638(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   34.3914(14)
_cell_length_b                   7.0397(3)
_cell_length_c                   6.1873(3)
_cell_volume                     1497.36(11)
_[local]_cod_data_source_file    wm6079Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 x,-y,z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,z
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_intensity_meas
_refln_intensity_calc
_refln_intensity_sigma
_refln_observed_status
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10 0 0 63012.9 55678.3 2957.1 o
12 0 0 424801.7 450515.9 17129.9 o
14 0 0 55468.9 44617.0 2619.6 o
16 0 0 64.1 47.7 36.2 <
18 0 0 222660.5 216854.7 10076.2 o
20 0 0 33237.5 33404.6 1430.6 o
22 0 0 626.7 592.2 69.0 o
24 0 0 313122.7 314337.9 12979.1 o
26 0 0 13736.8 12098.1 588.9 o
28 0 0 1922.9 2027.9 134.4 o
30 0 0 88942.8 89463.9 3602.8 o
32 0 0 2955.8 2881.5 177.3 o
34 0 0 68.3 17.4 69.5 <
36 0 0 16742.6 17342.5 744.7 o
38 0 0 364.2 422.6 165.3 <
40 0 0 233.4 39.4 136.7 <
42 0 0 9742.8 9105.5 486.6 o
5 1 0 38412.6 31978.4 1633.5 o
7 1 0 5592.0 4387.8 237.8 o
9 1 0 649887.8 717727.7 26689.2 o
11 1 0 3426.7 2906.4 213.7 o
13 1 0 136.8 0.3 27.6 o
15 1 0 19676.0 25702.4 856.2 o
17 1 0 53318.9 51157.6 2213.1 o
19 1 0 4294.9 4191.7 203.1 o
21 1 0 1111.5 1551.7 84.3 o
23 1 0 107.4 59.0 41.8 <
25 1 0 28978.5 28671.6 1215.9 o
27 1 0 74994.4 72340.2 3055.0 o
29 1 0 7293.3 6945.6 318.1 o
31 1 0 652.0 832.2 81.7 o
33 1 0 78769.8 77074.7 3195.7 o
35 1 0 115.5 131.7 71.7 <
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39 1 0 30915.2 30865.7 1308.4 o
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24 2 0 80041.2 82605.3 3219.8 o
26 2 0 7154.5 7125.5 352.8 o
28 2 0 1932.5 1977.5 121.5 o
30 2 0 23588.3 23872.6 978.8 o
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34 2 0 157.5 170.6 90.3 <
36 2 0 21054.9 21270.9 871.7 o
38 2 0 621.7 626.6 101.5 o
40 2 0 66.8 48.3 84.3 <
1 3 0 375.4 224.7 34.7 o
3 3 0 44637.3 44237.1 1816.9 o
5 3 0 1778.7 1584.0 114.3 o
7 3 0 476.2 237.4 31.7 o
9 3 0 231935.4 241176.7 9442.4 o
11 3 0 10504.3 9822.1 454.6 o
13 3 0 1998.3 1922.1 108.8 o
15 3 0 258741.2 254947.2 10722.5 o
17 3 0 3132.2 3056.6 150.8 o
19 3 0 13709.2 14135.2 589.5 o
21 3 0 9989.4 10024.7 426.6 o
23 3 0 18921.9 18930.8 790.2 o
25 3 0 18492.7 18553.0 815.3 o
27 3 0 569.0 675.9 79.8 o
29 3 0 11435.6 11803.0 511.9 o
31 3 0 152.6 67.7 73.9 <
33 3 0 77579.2 74341.3 3125.9 o
35 3 0 5757.5 6122.7 275.6 o
37 3 0 3782.4 3676.8 214.9 o
39 3 0 68814.1 65058.9 2837.2 o
0 4 0 944470.0 1120302.9 62651.2 o
2 4 0 1717.1 302.9 261.4 o
4 4 0 253.3 7.8 72.4 o
6 4 0 199825.3 195215.0 8251.7 o
8 4 0 24647.2 24842.7 1016.4 o
10 4 0 1927.2 1892.8 89.0 o
12 4 0 3791.8 3882.6 161.8 o
14 4 0 147.2 84.7 29.8 o
16 4 0 711.6 676.4 48.5 o
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20 4 0 18570.5 18498.0 773.2 o
22 4 0 1349.7 1322.1 85.9 o
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26 4 0 223.0 0.6 67.9 o
28 4 0 2547.7 2524.7 150.9 o
30 4 0 56274.5 57431.8 2276.4 o
32 4 0 9539.2 9032.0 419.6 o
34 4 0 117.8 3.5 65.1 <
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38 4 0 396.6 524.6 102.8 o
1 5 0 7201.0 7318.0 320.7 o
3 5 0 59118.5 58151.9 2405.7 o
5 5 0 23742.3 23918.8 1014.0 o
7 5 0 1488.2 981.3 120.4 o
9 5 0 197306.3 199731.1 8122.0 o
11 5 0 2420.2 1843.2 159.4 o
13 5 0 1517.5 1475.0 86.2 o
15 5 0 4371.7 3907.8 189.8 o
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19 5 0 259.1 293.1 51.2 o
21 5 0 1545.0 1512.4 96.1 o
23 5 0 27.5 2.1 45.6 <
25 5 0 7972.4 7984.5 363.1 o
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29 5 0 6468.8 6922.5 441.5 o
31 5 0 543.0 527.2 162.5 o
33 5 0 33964.5 35494.0 1428.3 o
35 5 0 253.4 309.3 165.4 <
0 6 0 390225.5 391667.1 15945.1 o
2 6 0 2412.1 317.6 288.0 o
4 6 0 14064.1 13924.8 588.4 o
6 6 0 37358.6 36040.7 1555.3 o
8 6 0 50177.3 50629.5 2077.5 o
10 6 0 2801.2 3189.0 214.2 o
12 6 0 713.0 742.9 86.9 o
14 6 0 1345.9 1557.1 102.0 o
16 6 0 180.7 180.1 70.5 <
18 6 0 98470.6 95849.9 4017.5 o
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22 6 0 151.7 41.8 77.6 <
24 6 0 45323.5 43896.2 1870.5 o
26 6 0 289.9 342.5 86.4 o
28 6 0 409.5 279.6 111.3 o
30 6 0 6773.0 7079.2 395.5 o
1 7 0 649.9 821.6 77.8 o
3 7 0 138.1 278.2 76.7 <
5 7 0 2164.8 2324.3 145.1 o
7 7 0 421.5 252.3 89.3 o
9 7 0 114537.8 112035.3 4690.9 o
11 7 0 1945.1 1365.9 198.5 o
13 7 0 743.5 432.5 113.9 o
15 7 0 73564.2 69099.2 3046.4 o
17 7 0 6882.8 6968.2 316.9 o
19 7 0 934.7 1313.4 122.2 o
21 7 0 471.9 627.7 104.5 o
23 7 0 441.3 579.9 101.0 o
25 7 0 3678.3 4109.7 284.6 o
0 8 0 70403.8 70070.2 2930.7 o
2 8 0 342.0 113.2 99.0 o
4 8 0 155.9 1.9 74.0 <
6 8 0 36955.0 36870.6 1507.1 o
8 8 0 2996.2 2993.3 178.5 o
10 8 0 120.5 223.5 73.6 <
12 8 0 3851.3 4419.6 214.5 o
14 8 0 907.7 1231.2 111.3 o
16 8 0 675.0 923.8 152.4 o
18 8 0 7095.6 7630.7 398.3 o
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4 0 1 29171.5 33621.3 1302.4 o
6 0 1 104513.7 94302.2 4954.9 o
8 0 1 565409.0 599429.7 24637.5 o
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12 0 1 152004.5 150988.5 6096.3 o
14 0 1 84485.8 91261.2 3398.4 o
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22 0 1 43014.6 43462.4 1756.8 o
24 0 1 1500.0 1343.7 114.7 o
26 0 1 112197.5 112681.7 4533.0 o
28 0 1 370.0 246.2 96.8 o
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34 0 1 2844.6 3053.4 215.1 o
36 0 1 13062.5 13218.8 599.8 o
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40 0 1 314.8 194.7 164.3 <
42 0 1 7006.9 6767.0 413.9 o
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-39 1 1 3675.5 4314.5 217.2 o
-37 1 1 41353.2 39995.1 1682.9 o
-35 1 1 239.8 315.4 81.4 <
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-23 1 1 46636.3 44391.9 1901.2 o
-21 1 1 55791.4 55099.1 2269.9 o
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8 2 1 214590.9 235581.3 8715.6 o
10 2 1 246150.9 237934.2 10201.3 o
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14 2 1 635418.3 650842.5 26395.8 o
16 2 1 15462.9 14996.7 645.1 o
18 2 1 160546.3 162969.1 6741.9 o
20 2 1 33180.9 33190.9 1388.3 o
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