#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/06/2210692.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_2210692_Fobs
loop_
_publ_author_name
'Kromm, Anna'
'Sheldrick, William S.'
_publ_section_title
;
 Tetra-\m~2~-selenido-diselenidobis[tris(2-aminoethyl)amine]dimanganese(II)ditin(IV)
;
_journal_coeditor_code           KP2055
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2767
_journal_page_last               m2769
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.358
_cell_angle_beta                 104.432
_cell_angle_gamma                107.264
_cell_length_a                   7.7721
_cell_length_b                   8.1927
_cell_length_c                   12.4806
_exptl_crystal_F_000             518.00
_reflns_d_resolution_high        0.8410
_[local]_cod_data_source_file    kp2055Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' AK358 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            245.52
_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'
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 0 0 12561.64 14061.76 150.53 o
2 0 0 8236.31 9705.99 263.79 o
3 0 0 1489.35 1813.99 75.61 o
4 0 0 110.72 176.52 56.69 o
5 0 0 8875.95 10088.18 273.30 o
6 0 0 9171.02 11156.98 307.47 o
7 0 0 684.29 636.30 104.76 o
8 0 0 122.56 149.25 104.32 o
-8 1 0 176.56 459.78 103.33 o
-7 1 0 7509.89 8339.75 251.59 o
-6 1 0 3429.37 3521.61 148.45 o
-5 1 0 5339.26 5328.33 150.96 o
-4 1 0 4085.41 3858.77 125.48 o
-3 1 0 57.19 78.66 44.04 o
-2 1 0 16671.28 14955.75 308.10 o
-1 1 0 23932.34 20147.14 389.54 o
0 1 0 931.22 820.86 79.96 o
1 1 0 3415.64 3289.54 62.53 o
2 1 0 4223.54 4211.00 118.49 o
3 1 0 23136.56 22917.34 514.40 o
4 1 0 9809.96 10158.86 412.51 o
5 1 0 181.50 333.76 84.22 o
6 1 0 236.38 205.76 90.32 o
7 1 0 64.33 17.94 91.49 o
8 1 0 989.35 1009.34 140.10 o
-8 2 0 91.90 74.00 96.78 o
-7 2 0 1024.77 841.34 106.20 o
-6 2 0 806.16 706.53 96.15 o
-5 2 0 329.39 151.32 71.76 o
-4 2 0 17452.94 17103.04 485.07 o
-3 2 0 19085.87 17888.05 411.70 o
-2 2 0 18034.00 15787.58 338.78 o
-1 2 0 26271.68 25167.87 604.14 o
0 2 0 2657.43 2231.04 404.21 o
1 2 0 8443.64 7448.35 189.91 o
2 2 0 23467.55 24001.13 494.04 o
3 2 0 5209.77 4999.06 135.08 o
4 2 0 6572.93 6521.72 202.26 o
5 2 0 6550.59 6218.46 186.12 o
6 2 0 887.98 910.14 112.48 o
7 2 0 1282.99 1453.42 142.70 o
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0 3 0 2989.60 2660.43 398.87 o
1 3 0 45.26 54.80 52.11 o
2 3 0 6792.12 6861.40 218.50 o
3 3 0 3105.66 3080.66 123.78 o
4 3 0 2605.80 2427.06 127.10 o
5 3 0 6682.88 6468.89 214.28 o
6 3 0 1250.01 1315.92 129.88 o
7 3 0 1936.86 2107.03 162.71 o
-8 4 0 482.95 228.99 107.54 o
-7 4 0 538.52 467.49 97.32 o
-6 4 0 638.42 526.78 92.48 o
-5 4 0 6754.87 6051.63 172.75 o
-4 4 0 3637.45 3476.22 127.10 o
-3 4 0 101.30 139.03 53.91 o
-2 4 0 410.83 393.13 51.57 o
-1 4 0 4089.12 3822.29 644.28 o
0 4 0 6854.33 6065.61 1493.96 o
1 4 0 28999.70 26940.14 1930.33 o
2 4 0 1477.67 1441.76 101.89 o
3 4 0 63.49 19.55 77.41 o
4 4 0 616.10 433.68 104.14 o
5 4 0 234.14 229.26 104.67 o
6 4 0 2020.98 2078.86 160.20 o
-8 5 0 425.34 422.73 114.00 o
-7 5 0 81.23 115.35 86.02 o
-6 5 0 4849.88 4636.07 172.84 o
-5 5 0 3015.03 2684.21 130.15 o
-4 5 0 876.37 652.53 83.06 o
-3 5 0 829.24 817.39 73.82 o
-2 5 0 527.87 485.52 66.37 o
-1 5 0 2303.28 2019.60 445.60 o
0 5 0 2095.74 1928.09 244.78 o
1 5 0 2396.42 2114.29 115.44 o
2 5 0 50.54 87.09 87.09 o
3 5 0 4422.44 4288.95 172.48 o
4 5 0 5485.50 5332.55 198.76 o
5 5 0 441.63 515.03 120.37 o
-8 6 0 19.03 -94.81 94.81 o
-7 6 0 11.00 -82.70 82.70 o
-6 6 0 97.16 -10.14 82.88 o
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0 6 0 20.62 16.33 97.36 o
1 6 0 32.71 24.17 59.87 o
2 6 0 3342.35 3524.12 166.29 o
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4 6 0 290.59 333.31 105.57 o
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0 7 0 3770.56 3468.51 528.57 o
1 7 0 343.65 313.17 65.96 o
2 7 0 264.70 482.56 115.44 o
3 7 0 0.49 -30.86 98.66 o
-6 8 0 122.01 65.30 94.81 o
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0 8 0 38.22 9.76 73.83 o
1 8 0 365.02 396.35 97.01 o
2 8 0 569.43 551.89 129.34 o
-5 9 0 84.68 80.64 92.03 o
-4 9 0 574.57 519.78 113.64 o
-3 9 0 146.20 208.00 104.05 o
-2 9 0 146.73 194.28 120.01 o
-1 9 0 160.45 4.04 105.75 o
0 9 0 68.30 226.10 86.19 o
0 -9 1 116.61 71.48 79.58 o
1 -9 1 43.38 -7.30 72.86 o
2 -9 1 155.50 165.85 121.72 o
3 -9 1 549.03 721.96 121.81 o
4 -9 1 733.16 881.16 119.56 o
5 -9 1 511.44 607.59 120.10 o
-2 -8 1 437.94 599.97 118.58 o
-1 -8 1 26.38 -74.04 74.04 o
0 -8 1 3713.39 3145.82 398.87 o
1 -8 1 3351.78 3156.32 568.80 o
2 -8 1 145.15 210.87 104.94 o
3 -8 1 44.55 60.72 74.99 o
4 -8 1 33.87 70.77 88.71 o
5 -8 1 21.99 24.58 87.27 o
6 -8 1 1660.06 1710.93 148.45 o
-3 -7 1 553.94 616.03 117.68 o
-2 -7 1 631.17 355.46 114.90 o
-1 -7 1 3092.94 2541.21 672.76 o
0 -7 1 2339.83 1980.82 314.34 o
1 -7 1 378.87 471.92 72.17 o
2 -7 1 330.34 213.56 108.89 o
3 -7 1 3694.67 3559.19 138.31 o
4 -7 1 2547.98 2544.65 139.39 o
5 -7 1 58.50 52.92 84.13 o
6 -7 1 92.70 156.79 95.26 o
7 -7 1 169.36 48.88 117.05 o
-4 -6 1 3084.66 3015.64 169.79 o
-3 -6 1 6892.59 7270.68 230.25 o
-2 -6 1 142.25 275.90 93.64 o
-1 -6 1 1752.68 1645.10 263.57 o
0 -6 1 518.86 470.41 195.18 o
1 -6 1 352.10 305.12 59.99 o
2 -6 1 8886.51 9443.09 284.60 o
3 -6 1 12379.89 11499.44 339.05 o
4 -6 1 410.47 318.51 89.69 o
5 -6 1 3513.05 3614.62 161.90 o
6 -6 1 75.03 37.40 88.98 o
7 -6 1 500.00 519.87 111.40 o
8 -6 1 1139.91 953.46 138.94 o
-5 -5 1 1030.44 920.09 127.99 o
-4 -5 1 2826.78 2763.68 152.30 o
-3 -5 1 654.59 590.19 99.11 o
-2 -5 1 7309.88 7632.06 235.36 o
-1 -5 1 5236.34 4570.38 190.69 o
0 -5 1 5868.61 5078.16 565.84 o
1 -5 1 3765.04 3468.00 536.06 o
2 -5 1 181.70 5.47 56.51 o
3 -5 1 3363.23 2886.12 120.73 o
4 -5 1 252.46 140.37 74.18 o
5 -5 1 2414.67 2312.34 129.52 o
6 -5 1 7130.28 7286.19 236.62 o
7 -5 1 21.23 -63.68 84.04 o
8 -5 1 2399.86 2545.27 171.68 o
-6 -4 1 190.75 250.70 100.01 o
-5 -4 1 2089.13 2293.95 144.05 o
-4 -4 1 6503.22 6829.11 224.33 o
-3 -4 1 788.27 759.81 93.28 o
-2 -4 1 703.28 705.99 82.97 o
-1 -4 1 16600.83 15212.85 1679.31 o
0 -4 1 84.68 34.12 43.86 o
1 -4 1 51538.52 45874.01 5134.64 o
2 -4 1 15750.84 14816.90 447.94 o
3 -4 1 79.87 150.96 58.21 o
4 -4 1 3293.63 2900.29 123.15 o
5 -4 1 4066.33 3369.93 141.90 o
6 -4 1 1104.19 1009.07 110.68 o
7 -4 1 5113.74 4884.16 194.01 o
8 -4 1 1521.35 1738.56 148.62 o
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1 -3 1 4205.79 3661.06 200.33 o
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-3 -2 1 21330.77 20424.36 507.14 o
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-1 -2 1 1360.38 1480.11 95.79 o
0 -2 1 8074.71 8730.47 734.74 o
1 -2 1 62.53 50.67 37.78 o
2 -2 1 1457.02 1350.09 68.35 o
3 -2 1 40971.50 38207.92 641.41 o
4 -2 1 27617.65 27554.93 645.45 o
5 -2 1 640.89 511.62 88.44 o
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3 -5 2 7003.38 6638.69 210.16 o
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