#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211089.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_2211089_Fobs
loop_
_publ_author_name
'Fuma, Yasuhiro'
'Ebihara, Masahiro'
_publ_section_title
;
 Tetra-\m-acetamidato-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{---</i>Ru)}
 perchlorate
;
_journal_coeditor_code           KP2034
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2802
_journal_page_last               m2804
_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                109.882
_cell_angle_beta                 98.696
_cell_angle_gamma                104.705
_cell_length_a                   7.7040
_cell_length_b                   11.4540
_cell_length_c                   11.6860
_exptl_crystal_F_000             562.00
_reflns_d_resolution_high        0.7700
_[local]_cod_data_source_file    kp2034Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' _fuma204'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            172.31
_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
2 0 0 3660.01 3881.62 67.01 o
3 0 0 2472.79 2315.76 46.67 o
4 0 0 13139.55 13522.29 143.99 o
5 0 0 20296.06 20959.75 357.11 o
6 0 0 622.96 630.62 19.56 o
7 0 0 25.12 45.09 20.50 o
8 0 0 3052.96 3050.71 95.38 o
9 0 0 1957.13 1920.37 77.19 o
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-8 1 0 132.40 109.49 30.61 o
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-6 1 0 1.33 45.54 29.86 o
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-4 1 0 306.12 291.30 8.05 o
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-2 1 0 16.11 32.53 5.14 o
1 1 0 8.07 13.13 3.78 o
2 1 0 126.01 137.87 14.15 o
3 1 0 91.04 102.45 6.87 o
4 1 0 178.11 183.09 20.34 o
5 1 0 98.49 98.45 15.87 o
6 1 0 5.92 5.83 14.77 o
7 1 0 43.77 49.76 20.03 o
8 1 0 2.51 19.09 41.44 o
9 1 0 5.02 64.45 33.82 o
-9 2 0 6219.84 7267.55 192.24 o
-8 2 0 5311.14 5572.23 133.18 o
-7 2 0 2149.12 2177.45 64.24 o
-6 2 0 284.95 278.55 26.31 o
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-4 2 0 22863.18 22565.56 174.39 o
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-2 2 0 12692.90 12855.57 198.11 o
0 2 0 7987.03 7620.49 221.35 o
1 2 0 5789.02 5385.91 135.87 o
2 2 0 105.24 117.39 10.65 o
3 2 0 160.15 157.41 17.50 o
4 2 0 12588.34 12524.79 192.72 o
5 2 0 5059.65 5019.03 52.52 o
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7 2 0 756.32 625.36 40.03 o
8 2 0 869.39 861.89 62.20 o
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0 3 0 224.28 210.70 26.51 o
1 3 0 629.22 618.72 15.70 o
2 3 0 694.55 663.70 29.22 o
3 3 0 191.22 230.88 24.04 o
4 3 0 23.72 20.24 15.87 o
5 3 0 114.57 120.67 24.09 o
6 3 0 74.62 49.44 21.85 o
7 3 0 5.52 43.43 38.31 o
8 3 0 2.07 16.37 48.70 o
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0 4 0 11530.93 10922.21 319.01 o
1 4 0 6439.33 5936.13 136.44 o
2 4 0 6376.62 6264.21 143.36 o
3 4 0 215.13 238.60 25.28 o
4 4 0 3627.07 3701.86 77.83 o
5 4 0 14900.58 15167.20 266.11 o
6 4 0 903.65 990.50 53.70 o
7 4 0 480.51 483.24 49.89 o
8 4 0 819.84 786.96 65.27 o
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-8 5 0 2.79 35.76 19.59 o
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-2 5 0 32.60 38.38 4.03 o
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0 5 0 235.21 221.23 18.15 o
1 5 0 394.77 378.12 23.66 o
2 5 0 275.28 313.90 26.83 o
3 5 0 75.26 67.83 17.83 o
4 5 0 30.33 21.16 16.22 o
5 5 0 34.73 35.57 19.62 o
6 5 0 1.24 91.69 42.78 o
7 5 0 47.31 36.95 27.04 o
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0 6 0 3502.70 3420.51 227.89 o
1 6 0 17092.27 16960.26 216.12 o
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3 6 0 559.61 618.71 38.88 o
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5 6 0 2143.48 2293.60 76.00 o
6 6 0 2460.67 2608.40 92.43 o
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-2 7 0 12.82 40.99 19.63 o
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0 7 0 56.96 64.71 14.32 o
1 7 0 24.12 23.89 13.95 o
2 7 0 44.81 77.25 24.45 o
3 7 0 231.69 163.19 25.15 o
4 7 0 17.13 24.19 19.09 o
5 7 0 5.11 70.13 41.58 o
6 7 0 24.39 46.13 26.68 o
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4 8 0 19.20 36.51 22.15 o
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-3 9 0 7.89 21.15 15.36 o
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-1 9 0 271.03 274.47 19.80 o
0 9 0 0.70 46.35 20.49 o
1 9 0 201.54 192.65 26.93 o
2 9 0 131.91 124.20 31.44 o
3 9 0 24.17 63.99 39.58 o
4 9 0 0.08 59.53 41.29 o
5 9 0 88.66 108.74 51.47 o
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-3 10 0 5501.89 5736.93 95.04 o
-2 10 0 4710.54 4761.10 65.38 o
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0 10 0 193.30 224.33 20.37 o
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3 10 0 1234.40 1246.71 62.76 o
4 10 0 15.49 38.23 43.28 o
-8 11 0 3.83 27.89 20.54 o
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-6 11 0 17.71 41.01 15.77 o
-5 11 0 30.30 44.85 13.55 o
-4 11 0 26.24 33.84 14.48 o
-3 11 0 52.47 61.14 14.15 o
-2 11 0 244.68 212.84 23.06 o
-1 11 0 54.09 54.43 15.56 o
0 11 0 231.70 210.23 29.92 o
1 11 0 0.79 47.72 27.51 o
2 11 0 5.28 38.91 35.00 o
3 11 0 0.57 36.22 44.60 o
-7 12 0 2963.95 2891.85 100.34 o
-6 12 0 3245.01 3106.55 183.46 o
-5 12 0 727.21 678.98 51.68 o
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-3 12 0 6631.26 6680.67 78.87 o
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-1 12 0 1645.78 1729.09 63.16 o
0 12 0 63.01 49.85 27.22 o
1 12 0 1665.14 1626.87 75.91 o
2 12 0 3323.10 3626.05 117.58 o
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-1 13 0 1.13 17.08 35.48 o
0 13 0 0.98 34.53 41.27 o
2 -14 1 66.25 35.67 21.34 o
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0 -13 1 148.91 107.76 32.04 o
1 -13 1 122.72 168.19 35.02 o
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0 -12 1 18.48 30.42 20.59 o
1 -12 1 176.47 159.00 33.49 o
2 -12 1 0.88 30.69 22.41 o
3 -12 1 34.45 24.32 19.51 o
4 -12 1 155.89 189.65 30.56 o
5 -12 1 5.78 15.62 11.30 o
6 -12 1 24.87 32.79 20.10 o
7 -12 1 14.96 37.30 30.32 o
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-1 -11 1 6661.83 6603.95 145.73 o
0 -11 1 1983.25 1922.52 46.88 o
1 -11 1 356.13 411.01 23.68 o
2 -11 1 3406.55 3369.96 51.56 o
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4 -11 1 3572.42 3449.29 49.27 o
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6 -11 1 738.58 735.83 26.31 o
7 -11 1 2153.63 2030.04 64.13 o
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1 -10 1 13.71 22.73 10.97 o
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3 -9 1 3119.83 2957.21 106.77 o
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4 -8 1 73.64 98.99 14.60 o
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6 -8 1 313.89 300.20 17.12 o
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8 -8 1 50.38 33.46 12.21 o
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3 -7 1 16338.66 16491.51 249.13 o
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0 -5 1 25661.71 26053.30 536.89 o
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3 -5 1 3825.49 3894.87 68.38 o
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5 -5 1 2375.27 2277.92 69.27 o
6 -5 1 60.32 56.16 11.31 o
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-1 1 1 2573.25 2592.13 17.56 o
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