#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2201420.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_2201420_Fobs
loop_
_publ_author_name
'Harris, Pernille'
'Kofod, Pauli'
_publ_section_title
;
 A methyl-coordinated Rh^<b>III^</b> ion in
 methylpentaamminerhodium(III)--chloropentaamminerhodium(III)--dithionate
 (0.73/2.27/3)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m460
_journal_page_last               m462
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'I -2y'
_symmetry_space_group_name_H-M   'I 1 m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 97.288
_cell_angle_gamma                90.000
_cell_length_a                   6.2710
_cell_length_b                   27.2050
_cell_length_c                   9.8710
_exptl_crystal_F_000             960.00
_reflns_d_resolution_high        0.6192
_[local]_cod_data_source_file    cm6013Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' PK66'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            466.34
_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'
'x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
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 -15 1221.55 1318.22 66.83 o
1 0 -15 2248.40 1977.83 68.63 o
3 0 -15 1377.42 1242.40 252.64 o
-2 1 -15 791.16 713.48 33.54 o
0 1 -15 2526.57 2446.96 126.55 o
2 1 -15 4917.07 4737.32 537.24 o
4 1 -15 1016.63 894.38 77.72 o
-1 2 -15 1586.05 1581.96 44.46 o
1 2 -15 2692.75 2702.21 60.61 o
3 2 -15 2336.56 2048.83 223.71 o
-2 3 -15 577.28 579.50 68.90 o
0 3 -15 489.29 444.74 74.98 o
2 3 -15 1586.37 1371.82 146.01 o
4 3 -15 1073.11 867.31 98.12 o
-1 4 -15 1496.18 1545.85 65.01 o
1 4 -15 3039.06 3285.90 102.40 o
3 4 -15 1277.59 1175.80 332.75 o
0 5 -15 677.79 823.89 45.76 o
2 5 -15 3841.13 3276.90 516.18 o
4 5 -15 1602.75 1216.66 124.38 o
-1 6 -15 1054.10 1030.58 52.98 o
1 6 -15 1000.23 856.50 217.02 o
3 6 -15 930.25 800.46 54.57 o
0 7 -15 1332.70 1253.06 58.26 o
2 7 -15 2497.65 2566.15 666.53 o
4 7 -15 936.75 724.62 109.65 o
-1 8 -15 1227.32 1150.77 55.33 o
1 8 -15 603.68 622.84 135.15 o
3 8 -15 1880.85 1366.82 210.94 o
0 9 -15 681.63 792.87 48.81 o
2 9 -15 1119.44 991.49 176.49 o
-1 10 -15 787.72 843.13 53.51 o
1 10 -15 1285.07 1504.61 70.55 o
3 10 -15 1153.18 651.74 38.19 o
0 11 -15 516.01 442.97 42.44 o
2 11 -15 2618.39 2838.10 97.80 o
1 12 -15 615.87 488.38 30.78 o
3 12 -15 771.70 487.54 66.13 o
0 13 -15 1008.13 889.44 56.41 o
2 13 -15 2318.55 2672.02 95.77 o
1 14 -15 1211.20 1154.06 178.84 o
-2 0 -14 1950.42 1838.92 66.91 o
0 0 -14 1491.16 1519.31 54.58 o
2 0 -14 4425.91 4889.90 1037.30 o
4 0 -14 1088.00 936.16 184.77 o
-3 1 -14 562.60 507.85 29.83 o
-1 1 -14 8314.86 8731.58 353.50 o
1 1 -14 2357.83 1976.95 167.56 o
3 1 -14 1492.60 1363.91 153.95 o
5 1 -14 1143.93 1015.54 112.87 o
-2 2 -14 3393.56 3711.27 79.26 o
0 2 -14 3514.99 3491.56 73.33 o
2 2 -14 3010.64 3021.77 272.73 o
4 2 -14 1405.57 1432.38 79.55 o
-3 3 -14 188.65 238.93 27.06 o
-1 3 -14 2809.90 2754.54 61.48 o
1 3 -14 3120.69 2867.03 312.62 o
3 3 -14 810.79 813.21 114.79 o
5 3 -14 1218.47 961.43 178.11 o
-2 4 -14 4354.72 4442.34 92.35 o
0 4 -14 2465.56 2588.37 82.94 o
2 4 -14 2153.00 2096.61 177.41 o
4 4 -14 1717.61 1641.82 112.69 o
-3 5 -14 970.41 854.05 33.80 o
-1 5 -14 6908.11 7282.31 141.15 o
1 5 -14 2325.64 1873.18 176.58 o
3 5 -14 616.00 525.20 51.91 o
5 5 -14 946.50 924.26 89.44 o
-2 6 -14 1611.78 1375.44 39.52 o
0 6 -14 950.39 888.08 65.12 o
2 6 -14 2956.11 3318.20 211.51 o
4 6 -14 963.36 820.22 76.42 o
-3 7 -14 1711.53 1599.46 67.93 o
-1 7 -14 6078.53 6536.53 184.60 o
1 7 -14 801.54 693.73 188.68 o
3 7 -14 1053.11 931.42 78.06 o
5 7 -14 1093.57 930.47 160.13 o
-2 8 -14 3267.54 3319.91 108.42 o
0 8 -14 2198.86 2088.72 75.05 o
2 8 -14 1637.41 1393.79 191.13 o
4 8 -14 873.41 816.55 117.16 o
-3 9 -14 452.75 571.68 46.09 o
-1 9 -14 1616.10 1714.68 67.38 o
1 9 -14 1266.67 1216.25 54.08 o
3 9 -14 897.78 768.35 171.50 o
5 9 -14 1238.98 971.65 135.31 o
-2 10 -14 3848.54 4082.09 128.06 o
0 10 -14 1439.85 1544.18 61.73 o
2 10 -14 1311.65 1139.50 160.40 o
4 10 -14 1245.32 1069.59 152.04 o
-1 11 -14 5418.60 5595.27 165.35 o
1 11 -14 1579.78 1331.15 236.62 o
3 11 -14 387.01 296.30 57.97 o
5 11 -14 855.43 947.10 165.50 o
-2 12 -14 1018.01 991.34 55.81 o
0 12 -14 522.00 471.41 109.38 o
2 12 -14 2457.83 2205.76 361.43 o
4 12 -14 1127.23 933.12 193.10 o
-1 13 -14 4027.88 4447.36 136.69 o
1 13 -14 1283.86 1270.13 58.38 o
3 13 -14 1219.82 992.95 145.20 o
-2 14 -14 2155.77 2162.30 79.90 o
0 14 -14 2640.56 2493.25 86.25 o
2 14 -14 2050.79 1816.89 312.86 o
4 14 -14 1295.13 1214.59 99.69 o
-1 15 -14 1390.36 1352.03 62.98 o
1 15 -14 1492.29 1629.25 69.65 o
3 15 -14 1390.83 1184.32 187.43 o
0 16 -14 2053.12 2317.53 85.70 o
2 16 -14 2531.08 2362.36 377.07 o
4 16 -14 1112.76 873.77 146.36 o
-1 17 -14 5744.92 6337.26 186.92 o
1 17 -14 2482.56 2756.40 98.95 o
3 17 -14 810.18 701.81 125.35 o
0 18 -14 829.76 705.79 242.78 o
2 18 -14 2942.35 2728.34 462.33 o
1 19 -14 1730.38 1428.12 314.80 o
3 19 -14 1650.13 1385.16 238.67 o
0 20 -14 3663.45 3495.86 116.72 o
2 20 -14 1614.87 1522.60 249.81 o
-3 0 -13 825.89 775.70 41.74 o
-1 0 -13 3322.70 3423.01 101.80 o
1 0 -13 2695.79 2223.12 398.70 o
3 0 -13 1125.10 1142.46 204.04 o
5 0 -13 6258.79 6195.27 772.21 o
-4 1 -13 5334.92 5673.71 116.89 o
-2 1 -13 350.10 422.37 21.97 o
0 1 -13 834.95 738.69 55.97 o
2 1 -13 5777.67 6406.54 370.42 o
4 1 -13 3215.57 3033.83 213.66 o
6 1 -13 393.96 455.34 51.39 o
-3 2 -13 2601.07 3034.67 68.61 o
-1 2 -13 417.91 478.35 74.12 o
1 2 -13 5608.92 5807.76 472.10 o
3 2 -13 3014.15 2653.49 264.93 o
5 2 -13 1651.07 1797.49 146.38 o
-4 3 -13 1676.70 1789.17 90.34 o
-2 3 -13 1103.93 1186.99 70.49 o
0 3 -13 390.73 382.90 30.74 o
2 3 -13 1702.23 1703.48 211.98 o
4 3 -13 4732.63 4874.60 372.81 o
6 3 -13 1272.88 1201.86 97.57 o
-3 4 -13 2905.95 3078.22 68.72 o
-1 4 -13 408.38 494.90 75.47 o
1 4 -13 6503.08 5767.22 533.37 o
3 4 -13 1681.66 1772.20 223.69 o
5 4 -13 839.11 864.56 71.71 o
-4 5 -13 5492.07 5736.14 198.85 o
-2 5 -13 1689.79 1865.70 77.23 o
0 5 -13 1186.13 1032.03 93.53 o
2 5 -13 3021.04 2992.31 241.15 o
4 5 -13 4003.46 3811.24 259.77 o
6 5 -13 294.74 383.72 26.86 o
-3 6 -13 859.11 860.23 63.02 o
-1 6 -13 2264.16 2497.18 55.00 o
1 6 -13 2284.15 2212.96 189.45 o
3 6 -13 611.02 503.64 49.63 o
5 6 -13 4509.03 4368.35 266.57 o
-4 7 -13 4837.25 5011.64 329.42 o
-2 7 -13 1905.35 1970.94 48.17 o
0 7 -13 2293.15 2244.22 105.36 o
2 7 -13 3325.50 3145.67 337.44 o
4 7 -13 985.50 972.03 70.15 o
6 7 -13 513.17 477.34 40.03 o
-3 8 -13 3367.45 3449.70 259.07 o
-1 8 -13 2504.66 2514.84 55.36 o
1 8 -13 4146.11 3934.07 305.11 o
3 8 -13 1005.40 863.32 44.52 o
5 8 -13 1028.95 1065.96 97.61 o
-4 9 -13 1603.48 1902.57 79.90 o
-2 9 -13 1049.93 1030.95 48.34 o
0 9 -13 577.89 520.04 65.19 o
2 9 -13 1467.26 1096.84 96.08 o
4 9 -13 2471.51 2219.46 224.96 o
6 9 -13 1259.17 1191.80 64.62 o
-3 10 -13 3418.79 3609.35 114.32 o
-1 10 -13 2236.45 2054.46 347.00 o
1 10 -13 3900.56 3379.03 327.81 o
3 10 -13 672.36 491.75 44.20 o
5 10 -13 881.43 1001.60 116.53 o
-4 11 -13 4467.13 4827.17 151.83 o
-2 11 -13 2598.27 3017.37 100.15 o
0 11 -13 1663.78 1702.98 64.66 o
2 11 -13 1912.65 1507.64 150.15 o
4 11 -13 2371.56 2076.94 171.88 o
6 11 -13 276.44 280.21 32.99 o
-3 12 -13 743.04 601.23 45.74 o
-1 12 -13 1491.08 1449.77 255.90 o
1 12 -13 1509.75 1224.60 129.37 o
3 12 -13 415.32 327.42 39.02 o
5 12 -13 4034.61 3794.03 457.83 o
-2 13 -13 1647.83 1735.82 70.00 o
0 13 -13 2098.63 1865.01 67.63 o
2 13 -13 2361.23 1879.82 203.15 o
4 13 -13 1533.08 1436.57 99.63 o
6 13 -13 677.13 652.99 51.54 o
-3 14 -13 2038.42 2247.02 85.85 o
-1 14 -13 1093.00 980.35 156.82 o
1 14 -13 4009.60 4171.49 127.21 o
3 14 -13 1344.81 1183.02 126.70 o
5 14 -13 925.92 903.82 56.32 o
-2 15 -13 736.32 728.44 46.26 o
0 15 -13 474.61 453.75 47.07 o
2 15 -13 1161.36 987.78 149.75 o
4 15 -13 2753.96 2519.82 304.48 o
-3 16 -13 1821.25 2073.27 79.15 o
-1 16 -13 782.30 691.47 85.85 o
1 16 -13 3089.64 3220.01 103.79 o
3 16 -13 1757.98 1380.53 165.84 o
5 16 -13 1584.35 1540.27 149.21 o
-2 17 -13 797.54 802.49 49.54 o
0 17 -13 503.42 547.08 127.10 o
2 17 -13 3635.74 3771.09 675.37 o
4 17 -13 3302.20 2832.83 400.47 o
-3 18 -13 544.89 568.04 57.88 o
-1 18 -13 1599.88 1792.90 73.13 o
1 18 -13 1097.05 991.36 113.34 o
3 18 -13 822.89 747.63 143.02 o
5 18 -13 4310.90 4025.25 709.87 o
-2 19 -13 321.33 278.87 43.66 o
0 19 -13 2248.06 2091.29 79.65 o
2 19 -13 3073.86 2746.34 300.21 o
4 19 -13 1524.99 1253.18 187.62 o
-1 20 -13 216.68 252.44 30.63 o
1 20 -13 3513.73 3992.29 127.86 o
3 20 -13 2744.41 2425.81 262.54 o
-2 21 -13 830.53 775.17 55.08 o
0 21 -13 602.26 666.06 163.37 o
2 21 -13 971.27 842.85 65.82 o
4 21 -13 2719.47 2246.05 189.20 o
-1 22 -13 477.32 370.10 53.88 o
1 22 -13 4049.03 3570.66 490.34 o
3 22 -13 1017.51 848.88 169.17 o
0 23 -13 443.28 542.35 162.43 o
2 23 -13 2825.72 2484.94 257.83 o
1 24 -13 1003.55 807.89 66.15 o
2 25 -13 1750.78 1667.21 301.61 o
-4 0 -12 170.28 213.84 33.82 o
-2 0 -12 1896.96 2122.36 69.78 o
0 0 -12 797.68 814.82 131.16 o
2 0 -12 8210.34 9082.96 239.81 o
4 0 -12 3595.67 3567.05 584.62 o
6 0 -12 1574.56 1485.91 136.20 o
-5 1 -12 2175.44 2236.76 89.76 o
-3 1 -12 395.52 414.14 21.72 o
-1 1 -12 6152.89 5973.86 459.01 o
1 1 -12 2677.58 2640.27 70.88 o
3 1 -12 1035.27 988.30 77.09 o
5 1 -12 1353.82 1499.50 106.71 o
7 1 -12 651.88 641.97 51.33 o
-4 2 -12 597.99 588.18 86.80 o
-2 2 -12 7120.38 7452.37 143.13 o
0 2 -12 2778.53 2502.46 205.59 o
2 2 -12 823.56 785.67 58.50 o
4 2 -12 2366.09 2347.17 158.47 o
6 2 -12 1630.97 1612.23 78.41 o
-5 3 -12 911.89 1053.98 40.49 o
-3 3 -12 39.77 72.60 23.47 o
-1 3 -12 1507.69 1631.71 39.45 o
1 3 -12 5721.77 6017.04 115.38 o
3 3 -12 3314.33 3364.93 335.84 o
5 3 -12 827.05 780.56 63.73 o
7 3 -12 4328.98 4495.20 194.27 o
-4 4 -12 389.38 384.53 26.31 o
-2 4 -12 8228.63 8533.35 162.16 o
0 4 -12 3471.76 3375.60 305.87 o
2 4 -12 674.50 699.32 71.04 o
4 4 -12 2504.75 2478.50 157.61 o
6 4 -12 702.80 747.13 60.61 o
-5 5 -12 1480.46 1571.26 118.25 o
-3 5 -12 1036.97 1131.04 34.77 o
-1 5 -12 7138.50 7690.21 145.88 o
1 5 -12 4323.78 3928.15 288.99 o
3 5 -12 1245.00 1150.21 50.88 o
5 5 -12 749.54 761.18 64.74 o
7 5 -12 1090.02 1175.41 75.96 o
-4 6 -12 129.37 197.12 22.01 o
-2 6 -12 3252.40 3418.16 95.27 o
0 6 -12 1678.64 1792.39 41.60 o
2 6 -12 5847.11 6316.82 321.69 o
4 6 -12 3012.37 2573.45 228.98 o
6 6 -12 1189.32 1093.27 76.48 o
-5 7 -12 923.54 1109.16 54.95 o
-3 7 -12 2177.68 2088.95 50.18 o
-1 7 -12 8128.99 8424.03 164.81 o
1 7 -12 3664.99 3356.97 252.23 o
3 7 -12 777.33 698.55 61.10 o
5 7 -12 954.44 976.62 49.53 o
7 7 -12 270.39 354.19 57.40 o
-4 8 -12 586.66 674.91 48.37 o
-2 8 -12 11806.98 12392.17 441.00 o
0 8 -12 3642.03 3488.49 251.55 o
2 8 -12 1624.28 1320.94 65.24 o
4 8 -12 1055.75 1110.69 65.54 o
6 8 -12 1124.78 1101.25 61.00 o
-5 9 -12 491.54 519.15 50.29 o
-3 9 -12 464.69 392.17 21.48 o
-1 9 -12 2842.50 3140.43 65.35 o
1 9 -12 4764.66 5182.06 240.13 o
3 9 -12 2021.45 1679.06 123.93 o
5 9 -12 608.61 537.46 55.54 o
7 9 -12 3496.24 3476.76 135.44 o
-4 10 -12 676.16 705.39 45.45 o
-2 10 -12 10068.41 10033.70 295.33 o
0 10 -12 3462.02 3105.38 247.12 o
2 10 -12 1446.00 1219.77 56.68 o
4 10 -12 1581.69 1484.25 85.91 o
6 10 -12 412.28 398.77 49.04 o
-5 11 -12 767.17 1028.65 63.11 o
-3 11 -12 2145.75 2151.78 51.18 o
-1 11 -12 6959.87 6968.58 194.14 o
1 11 -12 4515.29 3976.70 249.42 o
3 11 -12 813.30 655.87 37.97 o
5 11 -12 206.27 270.60 29.24 o
7 11 -12 740.32 861.30 59.61 o
-4 12 -12 141.35 107.64 37.41 o
-2 12 -12 2702.74 2955.04 97.00 o
0 12 -12 1697.06 1786.21 63.88 o
2 12 -12 3434.40 3064.64 206.23 o
4 12 -12 2757.09 2322.11 177.39 o
6 12 -12 1075.06 1026.14 51.58 o
-3 13 -12 2639.25 2729.06 93.57 o
-1 13 -12 4882.18 5130.36 148.81 o
1 13 -12 2896.51 2388.67 174.49 o
3 13 -12 961.86 873.97 99.15 o
5 13 -12 1124.21 954.30 104.84 o
-4 14 -12 679.83 810.94 55.88 o
-2 14 -12 7501.33 7847.47 218.94 o
0 14 -12 2420.56 2608.67 86.15 o
2 14 -12 751.81 598.32 52.05 o
4 14 -12 1104.22 1064.44 51.28 o
6 14 -12 1117.41 1210.03 153.22 o
-3 15 -12 205.57 235.63 31.54 o
-1 15 -12 1372.63 1262.03 158.77 o
1 15 -12 2934.83 2531.26 297.00 o
3 15 -12 2484.63 2089.68 114.30 o
5 15 -12 818.33 618.53 46.81 o
-4 16 -12 348.65 390.59 44.01 o
-2 16 -12 4915.14 5059.05 151.86 o
0 16 -12 1367.51 1166.31 134.43 o
2 16 -12 1347.51 1161.67 86.35 o
4 16 -12 1806.47 1646.26 163.18 o
6 16 -12 566.56 672.51 185.66 o
-3 17 -12 536.82 545.27 49.19 o
-1 17 -12 3801.82 3731.79 117.17 o
1 17 -12 3019.25 2717.83 226.29 o
3 17 -12 814.79 764.95 97.31 o
5 17 -12 655.00 656.12 79.09 o
-4 18 -12 152.97 252.55 50.91 o
-2 18 -12 854.18 907.57 91.51 o
0 18 -12 747.32 637.43 65.37 o
2 18 -12 4202.72 3724.15 311.34 o
4 18 -12 2743.55 2270.50 158.24 o
6 18 -12 1079.95 982.15 151.87 o
-3 19 -12 1358.86 1396.87 68.78 o
-1 19 -12 3060.66 2908.79 259.47 o
1 19 -12 1301.86 1069.18 95.65 o
3 19 -12 1336.20 1215.59 80.08 o
5 19 -12 1087.77 1087.16 103.28 o
-2 20 -12 4007.11 4542.03 140.26 o
0 20 -12 2640.03 2225.48 144.22 o
2 20 -12 514.48 425.13 56.64 o
4 20 -12 1253.68 1265.61 60.71 o
-3 21 -12 211.82 205.14 43.34 o
-1 21 -12 604.71 607.80 177.42 o
1 21 -12 3149.44 2822.13 245.97 o
3 21 -12 2858.58 2416.88 166.21 o
5 21 -12 721.41 622.07 102.42 o
-2 22 -12 4352.15 4543.78 142.68 o
0 22 -12 1603.96 1430.77 147.28 o
2 22 -12 1139.88 1107.40 104.42 o
4 22 -12 1876.87 1649.40 120.50 o
-3 23 -12 545.79 550.44 53.13 o
-1 23 -12 4728.62 4906.17 151.68 o
1 23 -12 3553.48 3217.53 197.51 o
3 23 -12 697.88 628.19 27.03 o
-2 24 -12 888.15 858.48 132.32 o
0 24 -12 1035.73 855.70 40.19 o
2 24 -12 4119.53 3657.05 271.20 o
4 24 -12 1414.29 1145.40 148.71 o
-1 25 -12 4299.20 3948.05 341.38 o
1 25 -12 1407.94 1352.94 237.67 o
3 25 -12 1137.93 1004.29 88.43 o
0 26 -12 3443.30 3072.29 271.68 o
2 26 -12 594.29 416.08 33.17 o
-1 27 -12 850.42 792.57 172.09 o
1 27 -12 2661.90 2371.33 230.25 o
3 27 -12 1288.66 1072.47 189.14 o
0 28 -12 1695.01 1484.70 112.66 o
2 28 -12 1101.94 940.09 143.06 o
-5 0 -11 1692.82 1913.77 74.18 o
-3 0 -11 2563.77 3021.02 92.80 o
-1 0 -11 2933.66 2656.42 217.05 o
1 0 -11 3162.07 3357.90 96.72 o
3 0 -11 2654.11 2563.93 314.96 o
5 0 -11 7407.84 7408.76 787.92 o
7 0 -11 2916.55 2757.33 189.71 o
-6 1 -11 871.06 974.14 41.57 o
-4 1 -11 8336.44 9111.86 271.15 o
-2 1 -11 2640.02 2714.19 58.31 o
0 1 -11 379.12 394.04 26.21 o
2 1 -11 3345.05 3673.71 138.13 o
4 1 -11 2211.32 2140.87 64.22 o
6 1 -11 679.33 717.55 40.32 o
8 1 -11 118.84 127.23 83.93 o
-5 2 -11 5067.66 5472.41 113.17 o
-3 2 -11 6570.28 7133.93 269.36 o
-1 2 -11 190.57 209.59 9.46 o
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