#------------------------------------------------------------------------------
#$Date: 2011-10-06 14:27:20 +0300 (Thu, 06 Oct 2011) $
#$Revision: 27511 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/10/2231020.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_2231020_Fobs
loop_
_publ_author_name
'Skar\.zy\'nska, Anna'
'Trzeciak, Anna M.'
'Gniewek, Andrzej'
_publ_section_title
;
trans-Dichloridobis(3,5-dimethylpyridine-\kN)(ethanolato-\kO)oxidorhenium(V)
;
_journal_coeditor_code BT5584
_journal_issue 8
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m1154
_journal_page_last m1155
_journal_volume 67
_journal_year 2011
_space_group_IT_number 2
_symmetry_space_group_name_Hall '-P 1'
_symmetry_space_group_name_H-M 'P -1'
_cell_angle_alpha 76.710
_cell_angle_beta 70.840
_cell_angle_gamma 73.210
_cell_length_a 8.7820
_cell_length_b 9.4580
_cell_length_c 12.0220
_exptl_crystal_F_000 516.00
_reflns_d_resolution_high 0.7696
_[local]_cod_data_source_file bt5584Isup2.hkl
_[local]_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ASKA
_shelx_refln_list_code 4
_shelx_f_calc_maximum 228.04
_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 80.31 87.99 17.00 o
3 0 0 5720.40 5767.98 100.40 o
4 0 0 7102.26 7220.04 165.75 o
5 0 0 3390.00 3341.66 84.25 o
6 0 0 598.99 564.20 55.41 o
7 0 0 5274.41 5164.65 121.59 o
8 0 0 11781.11 11731.61 629.95 o
9 0 0 485.94 576.34 114.16 o
10 0 0 403.15 306.50 121.20 o
-8 1 0 635.07 602.10 72.31 o
-7 1 0 284.02 230.73 49.93 o
-6 1 0 19328.29 18944.86 557.14 o
-5 1 0 12023.98 12363.43 244.70 o
-4 1 0 719.53 699.00 31.05 o
-3 1 0 4126.36 4022.40 51.73 o
-2 1 0 3651.17 3465.82 35.83 o
2 1 0 52000.05 53605.00 202.68 o
3 1 0 14436.58 14615.32 121.63 o
4 1 0 200.46 154.12 35.25 o
5 1 0 3347.04 3285.01 81.64 o
6 1 0 4254.21 4354.96 102.28 o
7 1 0 1739.71 1711.00 78.70 o
8 1 0 627.52 638.50 69.92 o
9 1 0 7197.48 7055.99 233.21 o
10 1 0 2534.63 2687.07 176.78 o
-8 2 0 1677.18 1551.17 132.63 o
-7 2 0 607.97 585.37 100.37 o
-6 2 0 685.87 657.31 70.09 o
-5 2 0 2213.88 2201.06 81.13 o
-4 2 0 22009.68 20111.69 1186.41 o
-3 2 0 12132.78 11614.28 89.67 o
-2 2 0 493.78 537.34 42.00 o
-1 2 0 7747.88 8416.76 177.50 o
1 2 0 7027.83 7398.50 93.30 o
2 2 0 645.68 674.07 24.56 o
3 2 0 24554.36 24790.27 181.02 o
4 2 0 24370.43 24310.21 528.46 o
5 2 0 4886.83 4609.14 94.87 o
6 2 0 341.30 332.84 51.75 o
7 2 0 2408.86 2634.30 129.18 o
8 2 0 4451.66 4557.96 138.24 o
9 2 0 1438.22 1334.41 89.70 o
10 2 0 365.37 289.55 119.86 o
-7 3 0 706.54 609.77 109.32 o
-6 3 0 4676.69 4804.13 176.51 o
-5 3 0 3566.94 3536.20 63.64 o
-4 3 0 414.80 389.34 30.54 o
-3 3 0 4130.52 4332.55 160.33 o
-2 3 0 27204.67 29025.59 782.97 o
-1 3 0 20689.19 21644.74 265.09 o
0 3 0 646.58 644.62 60.04 o
1 3 0 2163.14 2171.50 52.30 o
2 3 0 10596.06 11235.95 380.38 o
3 3 0 13187.77 13759.81 255.27 o
4 3 0 41.42 28.33 36.35 o
5 3 0 11701.41 11944.58 152.31 o
6 3 0 16541.24 16378.25 192.36 o
7 3 0 2554.91 2560.91 94.71 o
8 3 0 244.82 251.52 63.48 o
9 3 0 2151.23 2006.21 204.18 o
10 3 0 1824.09 1923.17 158.50 o
-7 4 0 5618.13 5766.60 216.96 o
-6 4 0 1087.84 1162.25 87.24 o
-5 4 0 1258.02 1124.70 82.74 o
-4 4 0 2871.50 2626.13 152.41 o
-3 4 0 5340.78 5472.47 198.68 o
-2 4 0 742.99 666.15 46.31 o
-1 4 0 5924.62 6117.76 131.04 o
0 4 0 32083.83 33621.12 586.18 o
1 4 0 15026.71 16010.35 308.37 o
2 4 0 556.63 557.52 41.09 o
3 4 0 3849.76 3822.86 78.91 o
4 4 0 4264.32 4350.76 82.38 o
5 4 0 4544.27 4509.75 105.02 o
6 4 0 88.22 91.69 51.88 o
7 4 0 6268.13 6370.97 140.15 o
8 4 0 13329.90 12981.97 205.25 o
9 4 0 1626.09 1614.55 148.42 o
10 4 0 122.08 137.74 107.47 o
-7 5 0 437.96 390.92 114.96 o
-6 5 0 6471.35 6183.90 235.75 o
-5 5 0 8948.03 9071.27 253.27 o
-4 5 0 1096.34 995.18 52.31 o
-3 5 0 1331.44 1319.44 57.27 o
-2 5 0 3926.86 3636.41 83.12 o
-1 5 0 3972.03 4144.56 125.68 o
0 5 0 769.48 857.53 77.03 o
1 5 0 3727.18 3873.52 81.78 o
2 5 0 26319.94 26346.06 491.76 o
3 5 0 14457.88 14799.80 148.37 o
4 5 0 126.73 126.99 30.48 o
5 5 0 2876.16 2825.49 92.57 o
6 5 0 4379.90 4443.47 134.63 o
7 5 0 2120.29 2092.69 97.38 o
8 5 0 132.76 129.67 68.36 o
9 5 0 4154.50 4001.47 139.04 o
10 5 0 5430.62 5793.08 229.83 o
-7 6 0 464.36 524.43 127.37 o
-6 6 0 522.90 527.22 122.44 o
-5 6 0 752.15 733.11 92.95 o
-4 6 0 8715.35 7929.38 450.03 o
-3 6 0 10110.75 9648.63 183.23 o
-2 6 0 1361.67 1345.48 82.47 o
-1 6 0 1420.90 1388.32 103.87 o
0 6 0 5458.88 5762.62 158.43 o
1 6 0 1192.38 1133.19 60.64 o
2 6 0 653.60 683.52 52.63 o
3 6 0 5267.00 5241.48 169.77 o
4 6 0 17989.07 18247.94 249.83 o
5 6 0 5730.67 5850.55 142.69 o
6 6 0 0.03 13.38 54.82 o
7 6 0 2771.01 2676.21 111.15 o
8 6 0 4794.06 4653.09 143.24 o
9 6 0 1866.45 1928.44 130.57 o
10 6 0 32.37 92.61 116.73 o
-6 7 0 2592.87 2548.06 205.92 o
-5 7 0 864.27 896.41 114.27 o
-4 7 0 624.81 610.93 101.93 o
-3 7 0 506.77 426.26 56.14 o
-2 7 0 12107.39 12161.19 203.98 o
-1 7 0 10588.53 10382.98 349.82 o
0 7 0 551.80 506.83 61.35 o
1 7 0 1217.20 1209.41 71.23 o
2 7 0 4992.72 5180.68 112.58 o
3 7 0 5491.44 5697.22 118.11 o
4 7 0 206.58 218.11 52.23 o
5 7 0 3025.23 2971.02 96.09 o
6 7 0 13250.93 13260.20 235.11 o
7 7 0 4232.34 4400.44 140.86 o
8 7 0 7.06 1.86 72.90 o
9 7 0 1537.28 1531.56 111.90 o
-6 8 0 1091.11 891.61 169.54 o
-5 8 0 313.82 246.78 139.08 o
-4 8 0 1174.03 1080.44 115.75 o
-3 8 0 1657.62 1532.10 84.34 o
-2 8 0 1106.17 1075.57 76.51 o
-1 8 0 629.41 674.57 69.86 o
0 8 0 8239.51 8059.74 576.45 o
1 8 0 7412.37 7672.90 145.74 o
2 8 0 415.80 413.10 62.30 o
3 8 0 2512.76 2607.06 94.99 o
4 8 0 744.91 831.62 70.31 o
5 8 0 4569.30 4682.12 121.26 o
6 8 0 119.71 109.76 68.33 o
7 8 0 3826.44 3871.52 304.82 o
8 8 0 7460.91 7411.70 315.79 o
9 8 0 1942.89 2051.03 125.98 o
-5 9 0 3994.17 3920.93 268.71 o
-4 9 0 642.00 622.10 113.58 o
-3 9 0 623.39 606.26 119.99 o
-2 9 0 1244.53 1207.70 85.34 o
-1 9 0 1478.01 1455.70 76.20 o
0 9 0 342.62 381.72 74.64 o
1 9 0 1503.14 1627.01 125.79 o
2 9 0 11042.39 11094.82 182.73 o
3 9 0 5955.87 5856.79 138.72 o
4 9 0 82.26 66.90 63.28 o
5 9 0 2109.56 2124.07 101.04 o
6 9 0 1876.54 1978.72 238.28 o
7 9 0 3294.38 3282.35 141.70 o
8 9 0 72.49 850.06 600.07 o
-3 10 0 6696.98 6911.21 243.44 o
-2 10 0 704.88 641.92 83.89 o
-1 10 0 329.59 269.42 65.90 o
0 10 0 619.36 617.64 79.95 o
1 10 0 2975.81 2944.96 129.58 o
2 10 0 229.94 211.97 73.48 o
3 10 0 1603.67 1550.78 96.22 o
4 10 0 7016.47 6902.80 201.99 o
5 10 0 6212.34 6590.45 159.98 o
6 10 0 119.39 136.84 74.47 o
7 10 0 716.25 844.06 107.97 o
-1 11 0 3951.96 4094.77 120.18 o
0 11 0 522.55 532.45 75.41 o
1 11 0 531.53 568.45 87.80 o
2 11 0 832.49 753.31 95.72 o
3 11 0 1621.61 1401.14 163.02 o
4 11 0 258.56 241.78 78.92 o
5 11 0 1655.96 1622.65 122.51 o
6 11 0 5483.15 5547.15 240.39 o
-5 -11 1 4266.65 4500.54 148.15 o
-4 -11 1 3051.38 3017.76 153.54 o
-3 -11 1 813.86 784.04 89.78 o
-2 -11 1 28.25 42.67 72.85 o
-1 -11 1 2009.90 1874.59 93.25 o
0 -11 1 5308.36 4900.87 127.39 o
1 -11 1 1117.00 1037.10 83.19 o
-7 -10 1 568.64 568.02 104.58 o
-6 -10 1 4276.82 4214.89 160.13 o
-5 -10 1 3272.93 3195.89 125.20 o
-4 -10 1 138.57 122.18 67.38 o
-3 -10 1 4005.27 4076.01 199.45 o
-2 -10 1 4165.77 4071.42 131.09 o
-1 -10 1 1656.29 1654.66 84.50 o
0 -10 1 12.93 0.00 61.85 o
1 -10 1 2654.89 2622.50 96.43 o
2 -10 1 2184.22 2169.68 104.60 o
3 -10 1 1436.16 1307.43 153.02 o
-8 -9 1 3606.75 3657.49 153.95 o
-7 -9 1 2054.80 2014.26 121.87 o
-6 -9 1 4.95 6.78 72.09 o
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-4 -9 1 2813.57 2862.64 172.81 o
-3 -9 1 3410.37 3565.16 114.30 o
-2 -9 1 234.02 250.23 71.35 o
-1 -9 1 4773.84 5078.41 131.22 o
0 -9 1 3242.10 3129.04 145.38 o
1 -9 1 999.58 964.50 69.00 o
2 -9 1 20.97 43.11 67.07 o
3 -9 1 6507.28 6134.67 360.50 o
4 -9 1 2441.16 2701.87 182.25 o
5 -9 1 645.93 517.49 168.93 o
-9 -8 1 2234.66 2160.37 133.57 o
-8 -8 1 63.23 107.48 82.91 o
-7 -8 1 3535.26 3674.11 144.59 o
-6 -8 1 6709.01 6640.85 226.73 o
-5 -8 1 4212.06 4463.26 136.51 o
-4 -8 1 0.78 8.60 54.54 o
-3 -8 1 5321.61 5564.47 124.35 o
-2 -8 1 9493.80 9520.75 155.93 o
-1 -8 1 4957.22 5159.36 121.66 o
0 -8 1 173.55 212.06 51.83 o
1 -8 1 3841.32 3803.76 100.58 o
2 -8 1 3201.53 3117.22 155.58 o
3 -8 1 902.72 835.06 72.12 o
4 -8 1 105.10 136.49 86.10 o
5 -8 1 3346.02 3440.55 236.04 o
6 -8 1 4447.69 4552.65 264.01 o
-9 -7 1 596.19 505.85 92.84 o
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-7 -7 1 5613.16 5503.46 461.33 o
-6 -7 1 145.33 157.66 64.92 o
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-4 -7 1 4643.68 4516.08 117.14 o
-3 -7 1 4755.67 4871.32 109.03 o
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-1 -7 1 4051.18 4030.30 100.61 o
0 -7 1 8284.90 8450.76 273.72 o
1 -7 1 5513.27 5629.49 123.38 o
2 -7 1 271.94 295.47 57.37 o
3 -7 1 4277.27 4351.44 151.26 o
4 -7 1 2214.42 2008.56 100.90 o
5 -7 1 213.64 247.79 83.08 o
6 -7 1 410.65 227.39 141.61 o
-10 -6 1 2296.28 2232.54 134.01 o
-9 -6 1 2805.61 2915.77 179.24 o
-8 -6 1 160.96 138.55 73.42 o
-7 -6 1 1467.62 1412.51 92.28 o
-6 -6 1 6455.49 6504.81 148.22 o
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-1 -6 1 1504.21 1429.72 63.48 o
0 -6 1 13.86 0.00 43.74 o
1 -6 1 5776.71 6798.07 473.91 o
2 -6 1 10219.10 9975.72 244.52 o
3 -6 1 4295.43 4464.26 100.99 o
4 -6 1 534.96 516.45 55.56 o
5 -6 1 3255.40 3358.80 329.73 o
6 -6 1 4041.09 4117.61 211.76 o
-10 -5 1 591.42 561.33 127.11 o
-9 -5 1 1465.91 1341.76 105.58 o
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-7 -5 1 3613.47 3348.93 118.72 o
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-5 -5 1 1771.05 1766.03 80.28 o
-4 -5 1 8862.23 8677.83 233.13 o
-3 -5 1 13381.48 13534.71 143.26 o
-2 -5 1 7.87 6.04 35.48 o
-1 -5 1 6556.43 6723.87 100.39 o
0 -5 1 16235.63 16285.00 156.81 o
1 -5 1 2247.84 2385.03 92.97 o
2 -5 1 9.57 13.22 39.59 o
3 -5 1 7487.89 7448.42 155.37 o
4 -5 1 8687.47 8691.62 154.27 o
5 -5 1 2851.35 2650.50 143.11 o
6 -5 1 693.32 676.82 116.60 o
7 -5 1 2239.98 2361.90 168.14 o
-10 -4 1 1434.95 1581.57 156.46 o
-9 -4 1 4338.69 4307.24 141.29 o
-8 -4 1 925.03 883.84 85.21 o
-7 -4 1 2466.88 2272.42 99.08 o
-6 -4 1 10248.88 10041.52 359.44 o
-5 -4 1 5893.45 5973.27 191.40 o
-4 -4 1 533.69 506.43 39.29 o
-3 -4 1 3751.84 3863.77 75.31 o
-2 -4 1 16629.85 17098.81 294.97 o
-1 -4 1 12161.59 12025.00 146.30 o
0 -4 1 81.43 59.97 35.44 o
1 -4 1 9742.51 9441.48 418.63 o
2 -4 1 8070.86 8142.20 258.84 o
3 -4 1 3996.27 4305.10 207.81 o
4 -4 1 72.10 62.75 35.30 o
5 -4 1 6536.20 6369.68 251.77 o
6 -4 1 12553.28 12311.83 1015.91 o
7 -4 1 2397.24 2126.01 140.41 o
-10 -3 1 606.74 559.14 126.85 o
-9 -3 1 94.77 95.92 68.79 o
-8 -3 1 3670.04 3812.90 123.99 o
-7 -3 1 7672.65 7377.38 150.97 o
-6 -3 1 1192.98 1144.26 70.98 o
-5 -3 1 4281.15 4199.03 99.35 o
-4 -3 1 6981.76 6586.59 156.71 o
-3 -3 1 12995.62 12916.85 137.97 o
-2 -3 1 259.13 253.31 34.11 o
-1 -3 1 4044.92 4069.30 72.86 o
0 -3 1 28993.54 30003.34 232.52 o
1 -3 1 16206.82 16745.60 582.21 o
2 -3 1 61.71 62.47 30.65 o
3 -3 1 11563.44 11184.48 571.15 o
4 -3 1 2663.48 2432.76 102.85 o
5 -3 1 2625.16 2501.55 109.64 o
6 -3 1 214.18 180.90 33.81 o
7 -3 1 4678.95 4866.18 173.32 o
-10 -2 1 2285.59 2371.12 168.32 o
-9 -2 1 3946.28 4171.29 139.20 o
-8 -2 1 732.00 731.57 78.51 o
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-4 -2 1 1718.03 1640.73 91.64 o
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-2 -2 1 4199.69 4038.98 69.17 o
-1 -2 1 5138.16 5419.74 91.40 o
0 -2 1 130.20 134.13 22.94 o
1 -2 1 14693.56 15339.78 392.70 o
2 -2 1 36499.91 40008.92 773.79 o
3 -2 1 13284.27 12866.53 250.04 o
4 -2 1 25.80 28.34 25.23 o
5 -2 1 7288.92 6975.23 372.37 o
6 -2 1 7898.02 7916.03 338.31 o
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-8 -1 1 3983.65 4035.98 129.61 o
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-6 -1 1 455.75 508.64 60.48 o
-5 -1 1 619.92 631.93 54.17 o
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-2 -1 1 1503.04 1480.98 39.27 o
2 -1 1 2.12 9.00 15.68 o
3 -1 1 8447.97 8461.15 80.94 o
4 -1 1 25011.97 24785.89 494.17 o
5 -1 1 11087.90 10733.60 132.77 o
6 -1 1 99.72 90.11 28.00 o
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-9 0 1 4349.65 4840.94 207.52 o
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2 0 1 22594.14 23760.69 158.43 o
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4 0 1 225.86 193.52 20.99 o
5 0 1 8758.80 8678.23 87.23 o
6 0 1 16842.16 16317.79 213.76 o
7 0 1 3370.46 3280.52 136.51 o
8 0 1 132.37 111.61 52.99 o
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-8 1 1 2902.26 2648.38 169.16 o
-7 1 1 3120.84 3266.02 112.94 o
-6 1 1 2571.51 2613.81 95.59 o
-5 1 1 1867.65 1839.41 75.48 o
-4 1 1 13158.63 13097.78 154.08 o
-3 1 1 3658.62 3534.80 244.42 o
-2 1 1 455.73 456.71 73.62 o
2 1 1 883.31 910.39 30.87 o
3 1 1 6384.55 6120.11 157.08 o
4 1 1 23742.75 24640.78 117.30 o
5 1 1 4178.26 4092.08 56.69 o
6 1 1 19.67 26.36 28.81 o
7 1 1 4300.17 4434.16 154.15 o
8 1 1 14179.69 14233.35 187.78 o
9 1 1 3588.61 3630.65 173.85 o
10 1 1 67.61 63.94 106.88 o
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-3 2 1 1157.86 1024.36 67.99 o
-2 2 1 17805.70 18055.35 288.35 o
-1 2 1 6984.82 6794.32 114.42 o
2 2 1 31327.44 31915.23 358.21 o
3 2 1 31267.14 31767.69 270.09 o
4 2 1 1448.13 1360.49 42.80 o
5 2 1 3596.61 3377.21 64.40 o
6 2 1 7389.72 7761.55 122.38 o
7 2 1 2236.69 2221.81 110.61 o
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9 2 1 3955.54 3910.00 179.49 o
10 2 1 5855.35 5689.31 225.02 o
-8 3 1 2944.71 2658.63 173.37 o
-7 3 1 2793.83 3012.17 178.13 o
-6 3 1 780.72 680.71 83.70 o
-5 3 1 193.52 240.76 67.51 o
-4 3 1 6016.91 5005.64 524.34 o
-3 3 1 7715.02 6877.67 111.30 o
-2 3 1 4360.95 4450.21 76.28 o
-1 3 1 3548.87 3687.88 144.00 o
0 3 1 11083.79 11006.00 211.77 o
1 3 1 4189.29 4360.72 150.99 o
2 3 1 464.58 465.28 37.80 o
3 3 1 5197.16 5242.92 122.56 o
4 3 1 24127.85 24090.64 461.33 o
5 3 1 14991.97 15169.58 167.84 o
6 3 1 475.45 454.22 50.73 o
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8 3 1 4374.21 4240.46 115.78 o
9 3 1 1434.66 1502.03 130.03 o
10 3 1 15.48 8.21 101.35 o
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