#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/65/2206579.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_2206579_Fobs
loop_
_publ_author_name
'Ouarsal, Rachid'
'El Bali, Brahim'
'Lachkar, Mohammed'
'Dusek, Michal'
'Fejfarova, Karla'
_publ_section_title
;
 Diammonium tris[hexaaquanickel(II)] tetrakis[hydrogenphosphate(III)],
 (NH~4~)~2~[Ni(H~2~O)~6~]~3~(HPO~3~)~4~
;
_journal_coeditor_code           WM6080
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i171
_journal_page_last               i173
_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                 91.371(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   34.1405(15)
_cell_length_b                   7.0197(3)
_cell_length_c                   6.1550(3)
_cell_volume                     1474.66(12)
_[local]_cod_data_source_file    wm6080Isup2.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 21063.0 17872.3 852.3 o
12 0 0 123936.0 128556.4 4967.1 o
14 0 0 17049.3 13939.7 695.2 o
16 0 0 128.7 91.6 57.6 <
18 0 0 72726.5 71222.4 2929.5 o
20 0 0 11047.5 10520.5 472.2 o
22 0 0 377.0 383.4 89.6 o
24 0 0 103796.3 102750.9 4180.1 o
26 0 0 3266.3 2927.9 182.3 o
28 0 0 769.8 868.8 114.7 o
30 0 0 30899.6 32027.6 1287.1 o
32 0 0 694.3 591.1 155.6 o
34 0 0 69.9 0.1 103.1 <
36 0 0 6177.9 6756.2 331.3 o
38 0 0 43.3 122.3 123.9 <
40 0 0 97.1 19.4 145.1 <
42 0 0 3573.6 3411.4 322.5 o
5 1 0 12404.8 10929.2 500.6 o
7 1 0 1497.1 1275.1 71.0 o
9 1 0 223657.5 244534.2 8994.2 o
11 1 0 947.5 854.2 54.3 o
13 1 0 68.3 22.5 32.8 <
15 1 0 8327.4 9643.1 342.3 o
17 1 0 17189.6 16510.0 696.5 o
19 1 0 957.2 878.0 69.5 o
21 1 0 699.1 861.6 68.3 o
23 1 0 133.0 51.9 51.1 <
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27 1 0 26576.8 25644.1 1083.9 o
29 1 0 2720.1 2576.2 148.5 o
31 1 0 161.6 208.6 93.0 <
33 1 0 28830.3 27625.9 1186.6 o
35 1 0 147.9 92.9 89.6 <
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39 1 0 11338.1 11364.1 511.7 o
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28 2 0 456.7 421.4 98.3 o
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34 2 0 150.4 60.7 107.4 <
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38 2 0 166.3 115.8 116.1 <
40 2 0 102.9 157.0 101.1 <
1 3 0 93.8 42.9 32.5 <
3 3 0 15701.5 15155.7 634.8 o
5 3 0 603.0 525.1 43.5 o
7 3 0 191.4 54.0 33.8 o
9 3 0 82850.6 87584.6 3322.8 o
11 3 0 3449.8 3409.3 157.6 o
13 3 0 887.3 883.7 87.9 o
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19 3 0 3415.2 3787.5 165.2 o
21 3 0 4080.0 4205.8 190.9 o
23 3 0 5627.4 5843.0 249.6 o
25 3 0 5664.6 5643.3 265.7 o
27 3 0 296.1 268.0 98.3 o
29 3 0 3892.2 3897.7 214.8 o
31 3 0 120.9 25.0 86.0 <
33 3 0 26509.8 25430.3 1108.0 o
35 3 0 2087.2 2270.8 199.8 o
37 3 0 1394.6 1382.9 201.0 o
39 3 0 24940.7 24208.9 1046.7 o
0 4 0 310031.0 358232.2 12463.7 o
2 4 0 222.9 24.6 58.3 o
4 4 0 55.4 7.5 40.6 <
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10 4 0 615.9 627.3 65.5 o
12 4 0 319.6 309.3 64.9 o
14 4 0 60.1 1.2 40.7 <
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26 4 0 134.2 2.0 90.4 <
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34 4 0 69.1 7.8 93.6 <
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38 4 0 250.2 210.7 139.0 <
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7 5 0 238.1 163.1 63.6 o
9 5 0 67609.3 67981.1 2718.4 o
11 5 0 762.4 625.7 85.9 o
13 5 0 442.5 512.7 71.1 o
15 5 0 1597.8 1495.7 105.0 o
17 5 0 11486.6 12371.3 483.2 o
19 5 0 115.1 78.1 67.0 <
21 5 0 713.1 684.7 91.3 o
23 5 0 62.8 3.2 68.7 <
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29 5 0 2282.1 2272.3 196.0 o
31 5 0 195.9 80.1 142.6 <
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35 5 0 155.9 136.8 154.1 <
0 6 0 132373.0 134039.0 5380.5 o
2 6 0 163.4 153.8 121.6 <
4 6 0 3880.6 3961.4 211.5 o
6 6 0 13985.1 13878.6 616.3 o
8 6 0 14416.2 14779.8 616.1 o
10 6 0 1068.7 1290.0 115.5 o
12 6 0 391.8 333.5 99.7 o
14 6 0 417.9 461.9 99.3 o
16 6 0 213.2 112.4 94.7 <
18 6 0 31489.6 30593.7 1306.2 o
20 6 0 5507.6 5517.5 306.5 o
22 6 0 160.3 17.3 114.2 <
24 6 0 16395.0 15814.1 705.3 o
26 6 0 123.7 75.9 122.8 <
28 6 0 97.3 77.7 131.9 <
30 6 0 2641.1 3041.7 270.9 o
1 7 0 119.2 183.3 100.1 <
3 7 0 199.1 286.7 115.6 <
5 7 0 715.5 699.6 145.8 o
7 7 0 267.4 61.5 142.5 <
9 7 0 38342.1 36717.1 1592.9 o
11 7 0 504.4 352.7 158.7 o
13 7 0 145.3 36.3 131.1 <
15 7 0 25383.9 23869.9 1076.0 o
17 7 0 2297.1 2110.2 339.7 o
19 7 0 431.6 309.1 248.9 <
21 7 0 394.9 446.9 276.0 <
23 7 0 215.8 147.3 162.6 <
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2 8 0 58.3 15.8 132.8 <
4 8 0 87.6 0.7 124.6 <
6 8 0 12633.2 12438.2 592.1 o
8 8 0 718.3 936.3 193.5 o
10 8 0 152.0 71.8 154.7 <
12 8 0 2282.3 2458.3 277.9 o
14 8 0 467.6 318.3 241.5 <
16 8 0 226.6 209.0 233.4 <
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6 0 1 30251.9 27875.2 1218.8 o
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12 0 1 51138.8 51158.7 2061.1 o
14 0 1 28786.7 30238.0 1170.6 o
16 0 1 3268.9 3294.0 162.8 o
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24 0 1 557.1 576.5 115.7 o
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36 0 1 4261.1 4430.1 298.7 o
38 0 1 688.4 672.7 169.4 o
40 0 1 8.5 16.1 136.5 <
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-37 1 1 14918.4 14694.5 644.2 o
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-31 1 1 17325.8 16632.3 727.6 o
-29 1 1 28208.5 27998.1 1163.5 o
-27 1 1 2877.8 2988.4 179.3 o
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-13 1 1 4907.5 5276.0 207.7 o
-11 1 1 4110.8 4002.9 174.3 o
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4 2 1 118075.1 122450.6 4729.3 o
6 2 1 42741.3 42737.9 1716.6 o
8 2 1 68627.5 77669.6 2753.2 o
10 2 1 80585.9 80553.8 3233.6 o
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24 2 1 186.9 86.1 69.7 <
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28 2 1 262.2 343.3 77.4 o
30 2 1 552.7 531.5 101.8 o
32 2 1 20341.6 19798.0 845.6 o
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1 3 1 5835.3 5332.4 243.2 o
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11 3 1 78766.7 76796.6 3163.1 o
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