#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211224.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_2211224_Fobs
loop_
_publ_author_name
'Rabe, Gerd W.'
'Zhang-Presse, Mei'
'Riederer, Florian A.'
'Rheingold, Arnold L.'
_publ_section_title
;
 Di-\m-chloro-bis{chloro[hydrotris(pyrazol-1-yl)borato)](tetrahydrofuran)ytterbium(III)}
 toluene solvate
;
_journal_coeditor_code           WM2039
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3149
_journal_page_last               m3151
_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                105.733
_cell_angle_beta                 105.648
_cell_angle_gamma                103.250
_cell_length_a                   9.2094
_cell_length_b                   10.9191
_cell_length_c                   11.8806
_exptl_crystal_F_000             560.00
_reflns_d_resolution_high        0.7528
_[local]_cod_data_source_file    wm2039Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' rab89 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            187.72
_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 8645.95 10381.80 302.45 o
2 0 0 114.37 153.01 5.34 o
3 0 0 26534.92 31666.80 726.31 o
4 0 0 14907.86 17341.73 398.16 o
5 0 0 589.99 658.84 23.17 o
6 0 0 7934.40 8701.28 368.69 o
7 0 0 7673.43 8645.61 246.90 o
8 0 0 731.74 783.07 29.38 o
9 0 0 505.70 550.22 24.22 o
10 0 0 1454.04 1604.56 54.67 o
-11 1 0 1943.97 2016.27 91.09 o
-10 1 0 1478.94 1617.75 55.14 o
-9 1 0 65.95 68.82 10.21 o
-8 1 0 4373.56 4744.01 139.42 o
-7 1 0 4564.20 5120.94 148.45 o
-6 1 0 1699.72 1753.45 142.12 o
-5 1 0 273.93 263.78 22.32 o
-4 1 0 9117.99 10155.18 285.69 o
-3 1 0 6146.86 6039.51 181.80 o
-2 1 0 286.19 327.48 11.07 o
-1 1 0 27360.78 24540.01 686.36 o
0 1 0 26069.32 27453.05 802.03 o
1 1 0 604.76 556.13 24.48 o
2 1 0 10226.54 13090.26 380.86 o
3 1 0 34528.79 46049.12 1334.35 o
4 1 0 2782.63 3157.26 74.82 o
5 1 0 3906.98 4585.88 108.06 o
6 1 0 19206.89 22780.61 525.23 o
7 1 0 6398.56 7099.40 204.31 o
8 1 0 152.73 170.29 12.45 o
9 1 0 2363.87 2544.74 79.78 o
10 1 0 3371.20 3266.18 150.78 o
-11 2 0 3170.08 3321.07 153.70 o
-10 2 0 870.91 967.11 36.83 o
-9 2 0 568.83 592.90 25.13 o
-8 2 0 6019.67 6548.53 189.13 o
-7 2 0 5671.15 6129.32 176.50 o
-6 2 0 341.15 362.45 15.01 o
-5 2 0 6017.21 6079.97 172.78 o
-4 2 0 12174.93 12289.07 344.27 o
-3 2 0 5558.08 5366.30 151.81 o
-2 2 0 397.08 248.81 8.99 o
-1 2 0 23328.05 21308.66 892.57 o
0 2 0 3700.02 3960.97 117.22 o
1 2 0 2031.20 3105.39 92.99 o
2 2 0 5800.13 7389.83 237.25 o
3 2 0 9468.99 12224.17 356.79 o
4 2 0 455.44 569.06 20.13 o
5 2 0 5863.83 6976.36 162.61 o
6 2 0 7197.56 8204.58 192.16 o
7 2 0 992.56 1103.75 37.31 o
8 2 0 1121.88 1238.99 62.94 o
9 2 0 4757.12 4942.16 219.04 o
10 2 0 1749.50 1735.05 86.43 o
-11 3 0 3424.96 3421.01 157.65 o
-10 3 0 283.83 278.88 17.37 o
-9 3 0 2033.03 1942.40 62.25 o
-8 3 0 7449.72 7796.32 223.70 o
-7 3 0 1762.84 1817.97 56.36 o
-6 3 0 1761.41 1725.03 52.64 o
-5 3 0 17962.63 18226.90 510.66 o
-4 3 0 11142.02 10602.61 298.20 o
-3 3 0 94.71 107.73 5.55 o
-2 3 0 14968.71 13666.62 397.38 o
-1 3 0 14295.20 12964.65 377.97 o
0 3 0 713.95 860.36 50.46 o
1 3 0 7326.40 9466.12 277.23 o
2 3 0 13855.97 18845.13 548.77 o
3 3 0 9059.13 12078.39 353.11 o
4 3 0 1064.00 1170.63 37.96 o
5 3 0 5601.90 6349.86 149.18 o
6 3 0 4898.36 5183.26 123.25 o
7 3 0 271.89 262.96 20.29 o
8 3 0 1348.12 1399.09 69.86 o
9 3 0 3633.80 3563.64 161.89 o
-11 4 0 890.15 833.07 48.72 o
-10 4 0 78.79 68.30 14.40 o
-9 4 0 3066.36 2933.60 133.41 o
-8 4 0 4718.51 4478.43 131.09 o
-7 4 0 7.65 9.03 5.72 o
-6 4 0 5520.79 5266.00 150.85 o
-5 4 0 19570.66 18912.87 529.54 o
-4 4 0 2968.63 2646.08 114.53 o
-3 4 0 4619.89 3988.10 117.59 o
-2 4 0 26471.26 26665.28 774.53 o
-1 4 0 15699.05 15702.72 457.65 o
0 4 0 2052.02 2278.68 70.93 o
1 4 0 17656.76 22337.29 651.15 o
2 4 0 18505.35 23488.71 683.33 o
3 4 0 189.22 211.07 12.69 o
4 4 0 6274.87 7170.76 212.79 o
5 4 0 7348.37 8146.12 241.75 o
6 4 0 2093.19 2184.72 69.84 o
7 4 0 401.77 433.18 20.10 o
8 4 0 3617.66 3413.29 155.39 o
9 4 0 1687.11 1555.32 79.46 o
-11 5 0 39.95 45.38 12.99 o
-10 5 0 669.64 581.22 36.62 o
-9 5 0 3377.51 3336.56 149.51 o
-8 5 0 711.83 702.20 38.04 o
-7 5 0 476.16 458.03 26.27 o
-6 5 0 5426.47 4828.85 207.46 o
-5 5 0 5755.79 5002.60 213.86 o
-4 5 0 4.47 5.13 2.73 o
-3 5 0 6277.17 5757.81 244.88 o
-2 5 0 16969.43 16975.67 494.57 o
-1 5 0 2692.16 2667.72 81.62 o
0 5 0 5718.81 6540.90 194.87 o
1 5 0 16980.36 20317.79 604.92 o
2 5 0 11455.06 13782.89 404.12 o
3 5 0 2763.65 3215.02 98.38 o
4 5 0 6849.38 7852.44 233.27 o
5 5 0 9782.71 10525.84 311.50 o
6 5 0 25.19 21.45 7.04 o
7 5 0 2234.26 2413.46 119.38 o
8 5 0 3314.64 3160.69 146.35 o
-11 6 0 188.92 162.26 18.74 o
-10 6 0 2909.03 2801.84 128.98 o
-9 6 0 3530.67 3302.43 148.24 o
-8 6 0 30.40 32.20 10.36 o
-7 6 0 2960.53 2653.47 118.30 o
-6 6 0 6785.62 5959.66 255.14 o
-5 6 0 1294.27 1107.27 52.11 o
-4 6 0 214.21 176.06 20.62 o
-3 6 0 7530.56 7631.44 224.77 o
-2 6 0 6838.48 7142.48 211.27 o
-1 6 0 83.48 81.51 7.67 o
0 6 0 2037.43 2220.74 70.75 o
1 6 0 9337.51 9331.50 385.68 o
2 6 0 1020.25 1173.60 40.24 o
3 6 0 2174.04 2343.70 74.35 o
4 6 0 5752.14 6018.10 181.36 o
5 6 0 3482.14 3337.47 104.28 o
6 6 0 491.39 554.05 24.51 o
7 6 0 3909.54 3887.72 122.06 o
-10 7 0 3360.94 3088.71 141.08 o
-9 7 0 1304.17 1141.69 58.09 o
-8 7 0 1029.73 877.79 46.09 o
-7 7 0 4723.90 4577.29 199.12 o
-6 7 0 5575.45 5078.11 219.08 o
-5 7 0 122.10 116.84 12.19 o
-4 7 0 5105.52 4956.74 229.53 o
-3 7 0 9290.23 10030.53 295.42 o
-2 7 0 444.84 464.37 19.01 o
-1 7 0 2933.33 3125.35 97.09 o
0 7 0 5327.47 5836.09 201.81 o
1 7 0 4826.48 5436.88 165.37 o
2 7 0 98.92 110.01 9.48 o
3 7 0 2499.65 2727.18 121.19 o
4 7 0 4631.13 4543.02 139.88 o
5 7 0 178.67 195.64 13.82 o
6 7 0 609.14 667.19 53.38 o
7 7 0 2647.73 2607.01 118.44 o
-10 8 0 2780.01 2604.56 121.17 o
-9 8 0 414.36 391.42 28.01 o
-8 8 0 1103.88 1019.53 52.72 o
-7 8 0 5364.40 5177.39 224.92 o
-6 8 0 4736.34 4480.69 195.40 o
-5 8 0 1070.11 1097.53 54.51 o
-4 8 0 5311.40 5684.71 170.02 o
-3 8 0 2960.85 3287.02 101.58 o
-2 8 0 821.04 769.34 46.82 o
-1 8 0 4943.50 4948.62 150.79 o
0 8 0 8347.26 9537.97 305.84 o
1 8 0 215.54 206.74 13.71 o
2 8 0 3153.46 3220.69 129.05 o
3 8 0 3211.54 3107.80 99.21 o
4 8 0 1186.67 1156.22 42.73 o
5 8 0 206.42 223.64 15.87 o
6 8 0 2806.05 2583.14 117.64 o
-10 9 0 655.99 632.25 39.87 o
-9 9 0 85.00 99.09 16.24 o
-8 9 0 2459.96 2449.87 113.54 o
-7 9 0 4421.91 4382.87 193.29 o
-6 9 0 437.53 403.00 27.40 o
-5 9 0 2017.07 2179.57 101.49 o
-4 9 0 7280.68 8238.89 354.84 o
-3 9 0 2301.01 2444.32 131.03 o
-2 9 0 1302.60 1391.11 48.42 o
-1 9 0 6450.42 7073.61 243.87 o
0 9 0 6602.14 7237.52 357.36 o
1 9 0 47.02 35.15 8.58 o
2 9 0 3018.54 3071.29 99.31 o
3 9 0 2658.95 2515.69 83.52 o
4 9 0 5.57 12.55 7.78 o
5 9 0 1096.36 1087.08 57.15 o
-9 10 0 454.79 436.61 31.54 o
-8 10 0 1361.15 1515.78 76.31 o
-7 10 0 872.75 1023.15 55.36 o
-6 10 0 730.98 776.58 44.91 o
-5 10 0 2446.16 2927.44 134.68 o
-4 10 0 2018.91 2222.88 106.15 o
-3 10 0 94.95 105.08 11.75 o
-2 10 0 2975.08 3126.09 99.94 o
-1 10 0 6512.76 7030.08 213.43 o
0 10 0 1436.36 1530.51 54.36 o
1 10 0 964.34 953.14 37.88 o
2 10 0 3974.61 4061.21 128.85 o
3 10 0 2369.09 2230.18 76.21 o
4 10 0 0.72 -1.08 8.66 o
-8 11 0 1657.38 1967.98 96.64 o
-7 11 0 36.22 54.09 16.19 o
-6 11 0 1474.08 1823.51 91.04 o
-5 11 0 1879.01 2448.65 117.50 o
-4 11 0 1058.14 1175.30 65.10 o
-3 11 0 248.08 304.00 24.24 o
-2 11 0 1549.24 1718.72 60.34 o
-1 11 0 1435.97 1563.49 59.71 o
0 11 0 35.66 23.33 9.52 o
1 11 0 1238.34 1310.83 49.17 o
2 11 0 1795.74 1809.52 87.23 o
-7 12 0 160.31 206.18 26.74 o
-6 12 0 2230.88 2977.38 141.55 o
-5 12 0 2370.92 2794.92 134.58 o
-4 12 0 255.12 250.48 29.33 o
-3 12 0 1777.89 1987.79 94.67 o
-2 12 0 1799.78 2115.27 73.25 o
-1 12 0 415.50 470.91 58.63 o
0 12 0 669.36 702.94 32.08 o
1 12 0 1289.31 1339.77 69.67 o
-6 13 0 2035.44 2966.37 144.19 o
-5 13 0 1609.11 2064.24 106.91 o
-4 13 0 101.20 75.04 23.16 o
-2 13 0 1438.08 1636.53 82.61 o
-1 13 0 7.76 9.79 13.46 o
2 -14 1 1187.72 1495.16 78.75 o
0 -13 1 109.17 105.26 14.29 o
1 -13 1 2129.40 2415.39 83.42 o
2 -13 1 1560.79 1681.59 61.78 o
3 -13 1 1.24 -14.78 19.82 o
4 -13 1 1657.00 1809.01 97.63 o
5 -13 1 1605.35 1892.28 101.68 o
6 -13 1 110.29 108.60 26.08 o
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-1 -12 1 275.22 253.23 18.72 o
0 -12 1 764.87 741.51 33.09 o
1 -12 1 1881.94 2065.13 71.86 o
2 -12 1 993.50 1067.65 42.86 o
5 -12 1 1252.32 1507.36 82.99 o
6 -12 1 4.29 7.53 18.92 o
7 -12 1 1449.61 1763.58 92.17 o
-3 -11 1 1661.12 1541.30 56.82 o
-2 -11 1 952.09 882.03 37.08 o
-1 -11 1 55.23 57.50 11.11 o
0 -11 1 1822.19 1970.20 68.38 o
1 -11 1 1833.71 1904.90 66.04 o
2 -11 1 205.95 222.75 20.22 o
3 -11 1 227.94 274.35 23.35 o
4 -11 1 913.02 1045.37 61.24 o
5 -11 1 418.32 509.11 38.41 o
6 -11 1 130.94 171.54 24.29 o
7 -11 1 1937.07 2266.14 110.29 o
8 -11 1 1014.40 1161.74 63.93 o
-5 -10 1 40.13 28.67 15.96 o
-4 -10 1 1908.84 1672.34 60.45 o
-3 -10 1 2576.26 2424.65 82.01 o
-2 -10 1 193.64 204.03 19.89 o
-1 -10 1 3262.08 3294.06 105.73 o
0 -10 1 5870.97 6189.64 189.44 o
1 -10 1 593.50 638.32 47.62 o
2 -10 1 309.42 329.64 18.73 o
3 -10 1 2999.73 3370.73 146.02 o
4 -10 1 1842.69 1807.55 90.19 o
5 -10 1 15.25 16.43 13.84 o
6 -10 1 1469.02 1605.69 80.45 o
7 -10 1 1481.05 1550.34 78.14 o
8 -10 1 544.15 536.83 35.82 o
9 -10 1 63.34 48.44 14.55 o
-6 -9 1 786.95 780.91 49.95 o
-5 -9 1 110.87 111.06 12.95 o
-4 -9 1 3222.28 2820.46 92.54 o
-3 -9 1 2431.28 2267.12 96.71 o
-2 -9 1 3.93 5.43 8.19 o
-1 -9 1 3584.53 3843.19 121.05 o
0 -9 1 4392.28 4719.53 178.29 o
1 -9 1 35.99 46.48 8.38 o
2 -9 1 2731.43 3040.00 96.67 o
3 -9 1 7412.09 8203.77 339.03 o
4 -9 1 644.39 638.14 38.74 o
5 -9 1 1632.87 1830.33 87.89 o
6 -9 1 4992.83 4990.03 218.99 o
7 -9 1 788.69 830.81 46.09 o
8 -9 1 7.06 14.03 11.30 o
9 -9 1 986.32 932.63 51.92 o
10 -9 1 1141.54 1107.46 59.60 o
-7 -8 1 369.21 366.55 30.90 o
-6 -8 1 15.37 16.15 7.86 o
-5 -8 1 1992.91 1750.77 60.46 o
-4 -8 1 4097.53 3962.86 124.14 o
-3 -8 1 1360.50 1267.34 45.41 o
-2 -8 1 359.15 353.14 18.29 o
-1 -8 1 5482.48 5769.27 175.77 o
0 -8 1 3493.42 3586.75 195.87 o
1 -8 1 132.86 144.08 21.23 o
2 -8 1 6527.17 6939.67 364.12 o
3 -8 1 8183.56 8725.83 358.37 o
4 -8 1 44.67 55.22 11.82 o
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6 -8 1 4533.38 4256.85 186.74 o
7 -8 1 409.10 419.05 27.40 o
8 -8 1 842.87 775.07 42.79 o
9 -8 1 2350.21 2075.02 98.43 o
10 -8 1 703.24 689.59 41.61 o
-8 -7 1 1562.37 1414.81 74.75 o
-7 -7 1 384.94 382.22 21.05 o
-6 -7 1 455.27 417.66 21.11 o
-5 -7 1 3374.99 3342.92 105.43 o
-4 -7 1 922.36 845.36 32.37 o
-3 -7 1 433.46 422.48 19.70 o
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-1 -7 1 3301.11 3676.97 114.10 o
0 -7 1 299.45 261.08 58.32 o
1 -7 1 653.35 653.37 25.38 o
2 -7 1 9822.49 10463.32 603.61 o
3 -7 1 3610.66 3433.33 316.03 o
4 -7 1 19.25 28.83 9.56 o
5 -7 1 4661.27 3953.27 172.48 o
6 -7 1 3672.97 3309.77 145.88 o
7 -7 1 305.67 269.78 19.91 o
8 -7 1 1621.82 1400.64 68.12 o
9 -7 1 2751.15 2425.91 112.04 o
10 -7 1 236.36 236.88 22.22 o
-8 -6 1 2533.78 2357.37 114.01 o
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-1 -6 1 3044.20 3037.77 94.45 o
0 -6 1 68.80 83.16 21.04 o
1 -6 1 5253.25 4838.25 274.61 o
2 -6 1 3488.07 3344.18 101.41 o
3 -6 1 144.98 122.75 9.30 o
4 -6 1 1400.56 1330.89 34.72 o
5 -6 1 3981.57 3394.98 147.91 o
6 -6 1 1357.19 1184.71 56.30 o
7 -6 1 137.12 130.02 12.90 o
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10 -6 1 0.49 7.63 11.06 o
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-8 -5 1 925.64 926.51 53.29 o
-7 -5 1 112.97 98.99 10.86 o
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-5 -5 1 4764.70 5233.09 157.90 o
-4 -5 1 396.88 418.85 31.54 o
-3 -5 1 6571.64 6913.48 363.60 o
-2 -5 1 13858.01 15901.12 465.50 o
-1 -5 1 1746.78 1820.05 57.92 o
0 -5 1 3750.13 3769.46 114.58 o
1 -5 1 14740.61 13280.28 863.13 o
2 -5 1 5303.71 4896.84 222.61 o
3 -5 1 296.79 249.71 11.34 o
4 -5 1 8879.15 7925.52 223.57 o
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6 -5 1 145.21 120.84 10.22 o
7 -5 1 2244.36 2058.56 63.01 o
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9 -5 1 715.94 685.01 27.37 o
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-9 -4 1 1283.41 1271.23 68.26 o
-7 -4 1 502.15 516.21 29.52 o
-6 -4 1 4364.55 4782.79 144.82 o
-5 -4 1 1910.52 2129.65 67.33 o
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-1 -3 1 113.77 123.63 17.35 o
0 -3 1 12473.52 13555.92 396.43 o
1 -3 1 23257.60 21037.62 1072.05 o
2 -3 1 2113.77 1981.64 46.83 o
3 -3 1 6447.33 5644.85 162.71 o
4 -3 1 7728.08 7432.23 209.87 o
5 -3 1 1524.80 1616.30 49.09 o
6 -3 1 4104.61 4226.39 122.72 o
7 -3 1 6584.33 6904.14 198.79 o
8 -3 1 2871.58 2901.41 88.12 o
9 -3 1 962.84 999.22 57.19 o
10 -3 1 1773.02 1712.54 57.71 o
11 -3 1 937.04 917.11 36.94 o
-10 -2 1 2647.33 2720.78 128.04 o
-9 -2 1 429.14 479.92 32.76 o
-8 -2 1 1002.81 1089.72 56.39 o
-7 -2 1 8802.19 9695.95 276.27 o
-6 -2 1 3541.31 3876.66 113.03 o
-5 -2 1 784.12 825.06 22.09 o
-4 -2 1 3518.70 4043.06 95.17 o
-3 -2 1 3692.65 3914.57 91.72 o
-2 -2 1 27.60 43.09 2.86 o
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0 -2 1 25366.40 24295.67 708.15 o
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2 -2 1 551.70 603.43 18.59 o
3 -2 1 2806.99 2651.93 76.46 o
4 -2 1 5042.80 5233.54 148.98 o
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6 -2 1 3889.21 4276.43 124.32 o
7 -2 1 7228.98 7650.16 219.70 o
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