#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/15/2011554.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_2011554_Fobs
loop_
_publ_author_name
'Bolte, Michael'
'Hensen, Karl'
'Faber, Alexander'
_publ_section_title
;
 Complexes of germanium bromides with 4-picoline and 3,4-lutidine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e499
_journal_page_last               e500
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.4770
_cell_length_b                   17.9420
_cell_length_c                   13.1940
_exptl_crystal_F_000             1152.00
_reflns_d_resolution_high        0.7610
_[local]_cod_data_source_file    qa0420IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' He72 in Cmca'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            554.69
_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+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'x+1/2, -y, z-1/2'
'-x+1/2, y+1/2, 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 1500.41 1767.59 153.19 o
4 0 0 307681.50 277730.84 6701.70 o
6 0 0 1068.41 1749.38 307.16 o
8 0 0 38644.88 40277.27 1278.39 o
2 2 0 33115.85 34605.23 462.36 o
4 2 0 61688.12 57317.29 1548.96 o
6 2 0 2598.35 3028.06 301.09 o
8 2 0 8231.32 8418.24 435.95 o
0 4 0 2961.37 3185.47 145.08 o
2 4 0 65557.92 63907.23 814.83 o
4 4 0 1170.44 941.98 184.61 o
6 4 0 12513.85 13342.91 500.33 o
8 4 0 51.81 -188.44 299.42 o
2 6 0 221599.56 207456.75 2812.45 o
4 6 0 34740.74 32291.05 587.63 o
6 6 0 49238.29 49969.11 1060.73 o
8 6 0 1772.70 1743.76 354.84 o
0 8 0 67067.96 68265.49 2281.76 o
2 8 0 78453.30 73617.70 1395.04 o
4 8 0 25252.86 24837.96 509.66 o
6 8 0 21607.30 21632.49 585.66 o
8 8 0 2474.01 2812.44 382.99 o
0 10 0 14512.92 13400.24 534.26 o
2 10 0 234.85 127.91 129.98 o
4 10 0 6611.73 5788.56 349.85 o
6 10 0 812.32 627.99 243.45 o
8 10 0 709.36 617.75 331.38 o
0 12 0 116109.73 116689.25 2288.03 o
2 12 0 30774.08 28894.83 525.40 o
4 12 0 57583.02 58367.16 1196.70 o
6 12 0 4571.44 4769.29 420.45 o
8 12 0 7989.92 7928.88 611.29 o
0 14 0 103754.45 101933.28 3302.99 o
2 14 0 11739.36 11963.16 376.18 o
4 14 0 56027.99 54499.30 1133.88 o
6 14 0 2198.09 2902.10 398.23 o
0 16 0 3085.56 3042.43 382.98 o
2 16 0 716.03 564.06 284.45 o
4 16 0 2783.79 2934.64 364.23 o
6 16 0 96.47 -112.25 348.21 o
0 18 0 12837.39 13690.64 854.42 o
2 18 0 28085.27 31079.93 877.60 o
4 18 0 5271.93 5382.94 483.00 o
6 18 0 6875.37 7116.53 547.70 o
0 20 0 11335.15 11684.53 718.98 o
2 20 0 31047.53 34194.51 977.49 o
4 20 0 5540.82 6057.85 591.94 o
0 22 0 2.91 -481.12 481.12 o
2 22 0 4741.37 4753.30 560.28 o
1 1 1 36588.82 35717.95 839.58 o
3 1 1 151.78 188.72 73.56 o
5 1 1 40778.57 41888.32 546.71 o
7 1 1 2283.58 2432.82 198.56 o
9 1 1 13837.08 13575.77 613.11 o
0 2 1 694.16 786.10 44.33 o
2 2 1 95712.14 95936.66 980.13 o
4 2 1 1032.78 903.58 95.73 o
6 2 1 13382.46 13855.15 311.37 o
8 2 1 22.00 -171.84 190.53 o
1 3 1 20043.41 20286.52 281.66 o
3 3 1 9533.19 10341.94 188.13 o
5 3 1 7261.68 7490.56 248.23 o
7 3 1 1968.01 1835.93 185.72 o
9 3 1 1759.32 1837.97 285.84 o
0 4 1 32238.91 31657.93 483.02 o
2 4 1 38591.13 39072.77 484.61 o
4 4 1 13882.05 14045.48 279.24 o
6 4 1 5884.96 6162.31 224.85 o
8 4 1 1444.65 1315.26 238.50 o
1 5 1 790.21 776.23 73.62 o
3 5 1 23007.67 22964.22 392.47 o
5 5 1 2126.92 2047.77 147.70 o
7 5 1 17201.06 17521.60 368.51 o
9 5 1 1626.02 974.53 270.19 o
0 6 1 125.88 354.20 95.57 o
2 6 1 4791.65 5430.98 155.96 o
4 6 1 38.34 53.48 83.59 o
6 6 1 1196.03 1087.15 159.39 o
8 6 1 10.42 252.36 218.29 o
1 7 1 8466.69 9219.81 179.17 o
3 7 1 37125.59 36416.15 409.92 o
5 7 1 1407.39 1163.21 149.09 o
7 7 1 23263.24 22304.57 445.69 o
9 7 1 1895.95 2273.59 346.00 o
0 8 1 27422.98 27461.69 600.00 o
2 8 1 5461.94 5396.23 139.47 o
4 8 1 9592.42 9654.40 208.70 o
6 8 1 937.90 843.92 165.52 o
8 8 1 935.45 987.63 249.32 o
1 9 1 2202.80 2131.34 108.05 o
3 9 1 5052.53 5203.94 146.73 o
5 9 1 512.80 385.92 139.87 o
7 9 1 3032.89 3140.71 241.90 o
9 9 1 20.81 284.62 349.01 o
0 10 1 10922.60 9717.77 378.83 o
2 10 1 32862.44 33080.67 510.51 o
4 10 1 5181.88 4934.73 177.06 o
6 10 1 7350.70 6445.92 265.41 o
8 10 1 376.43 467.16 248.52 o
1 11 1 9560.49 9180.61 195.00 o
3 11 1 41.82 121.48 99.77 o
5 11 1 14724.05 14236.38 312.67 o
7 11 1 768.46 992.69 228.65 o
0 12 1 2844.29 3058.41 208.27 o
2 12 1 2928.34 3168.82 144.24 o
4 12 1 1722.32 1420.08 164.06 o
6 12 1 984.67 1190.83 248.49 o
8 12 1 270.67 434.81 340.66 o
1 13 1 9057.35 9951.73 212.48 o
3 13 1 49.41 69.41 121.51 o
5 13 1 18600.99 18904.37 456.93 o
7 13 1 2031.76 1651.27 282.80 o
0 14 1 4966.18 6153.67 256.25 o
2 14 1 1978.07 2423.79 166.64 o
4 14 1 2252.70 2587.39 222.22 o
6 14 1 270.23 322.77 314.70 o
1 15 1 6863.20 7094.51 218.68 o
3 15 1 2150.59 2280.90 215.92 o
5 15 1 6463.60 6248.28 311.68 o
7 15 1 202.09 365.67 276.68 o
0 16 1 5693.76 6797.83 301.30 o
2 16 1 13651.85 13922.50 317.73 o
4 16 1 2368.75 2243.21 255.76 o
6 16 1 3717.22 3999.37 316.92 o
1 17 1 2070.64 2203.90 204.60 o
3 17 1 7428.65 8277.67 403.87 o
5 17 1 6.32 -226.04 265.39 o
0 18 1 4242.05 4410.75 335.99 o
2 18 1 1177.39 1456.04 231.70 o
4 18 1 2617.74 2181.17 320.24 o
6 18 1 404.85 451.34 307.79 o
1 19 1 345.90 260.81 192.82 o
3 19 1 5961.61 6242.14 359.01 o
5 19 1 1029.16 912.73 311.51 o
0 20 1 176.85 475.63 305.38 o
2 20 1 853.14 1422.47 269.86 o
4 20 1 37.60 -6.16 281.39 o
1 21 1 1654.54 1871.84 329.96 o
3 21 1 3622.25 4168.38 391.27 o
0 22 1 2943.28 3250.40 451.89 o
2 22 1 2966.17 3029.85 395.08 o
1 23 1 1093.41 993.51 478.43 o
0 0 2 66444.63 66155.89 904.57 o
2 0 2 72631.63 77995.65 2405.01 o
4 0 2 37911.64 36757.54 941.31 o
6 0 2 7529.87 7710.22 309.62 o
8 0 2 5248.58 5596.35 420.54 o
1 1 2 58.17 145.07 33.84 o
3 1 2 6012.80 6907.17 144.72 o
5 1 2 2141.12 2518.43 150.98 o
7 1 2 3771.53 3972.95 239.70 o
9 1 2 1239.90 1791.72 276.83 o
0 2 2 80849.37 82582.58 939.82 o
2 2 2 1669.56 1439.71 63.00 o
4 2 2 31065.18 33373.49 443.55 o
6 2 2 6.02 -71.68 134.67 o
8 2 2 5736.56 5923.60 333.36 o
1 3 2 319.07 302.85 47.18 o
3 3 2 14504.91 15996.43 203.42 o
5 3 2 12919.22 12678.08 247.06 o
7 3 2 14045.27 13608.43 338.53 o
9 3 2 5729.14 6632.47 495.77 o
0 4 2 93.48 121.10 61.74 o
2 4 2 29626.88 29677.98 370.83 o
4 4 2 217.15 156.83 100.33 o
6 4 2 8395.06 8630.80 275.07 o
8 4 2 524.88 269.97 197.15 o
1 5 2 142.04 145.99 49.85 o
3 5 2 5629.55 5359.99 135.02 o
5 5 2 3597.88 3522.22 155.67 o
7 5 2 4899.80 5646.76 251.83 o
9 5 2 2021.22 1933.56 312.18 o
0 6 2 20229.37 21871.47 324.08 o
2 6 2 91189.41 82867.43 770.67 o
4 6 2 6189.94 6241.71 164.65 o
6 6 2 21783.82 20492.90 381.12 o
8 6 2 267.78 828.10 242.61 o
1 7 2 520.60 696.59 67.51 o
3 7 2 1022.52 821.60 111.64 o
5 7 2 1630.58 1786.00 151.88 o
7 7 2 1035.48 851.19 184.80 o
9 7 2 726.78 369.82 286.05 o
0 8 2 1330.86 1178.44 107.05 o
2 8 2 63750.56 63282.55 633.44 o
4 8 2 523.53 361.84 108.49 o
6 8 2 18485.62 18557.17 368.82 o
8 8 2 37.35 15.20 246.33 o
1 9 2 2688.15 2781.88 101.97 o
3 9 2 4060.95 4039.81 164.27 o
5 9 2 12773.69 12693.90 284.38 o
7 9 2 7295.88 7578.07 314.97 o
9 9 2 5098.97 5391.66 420.69 o
0 10 2 13886.26 13223.86 344.56 o
2 10 2 3640.68 3907.39 161.32 o
4 10 2 7892.01 7679.42 212.71 o
6 10 2 2215.40 2385.78 197.23 o
8 10 2 1362.54 1357.45 297.79 o
1 11 2 41.30 -1.02 119.59 o
3 11 2 4471.93 5178.57 176.49 o
5 11 2 3005.58 2862.97 205.78 o
7 11 2 4640.91 4292.08 279.33 o
0 12 2 49996.23 47703.35 1148.30 o
2 12 2 5208.67 4924.51 187.96 o
4 12 2 24510.10 24313.61 507.08 o
6 12 2 674.84 405.70 198.70 o
8 12 2 3930.18 3170.31 509.14 o
1 13 2 702.05 608.40 135.31 o
3 13 2 3.50 177.05 146.22 o
5 13 2 912.30 816.45 205.88 o
7 13 2 36.11 315.54 308.99 o
0 14 2 38721.28 40639.34 744.86 o
2 14 2 2249.61 2245.41 165.76 o
4 14 2 22464.52 22651.42 435.41 o
6 14 2 296.78 348.51 237.75 o
1 15 2 835.89 925.51 167.54 o
3 15 2 2210.63 2327.66 272.89 o
5 15 2 5809.35 6047.45 325.83 o
7 15 2 3464.85 3463.65 375.20 o
0 16 2 6486.12 6465.81 319.37 o
2 16 2 3421.60 3632.56 223.53 o
4 16 2 4526.77 4198.84 278.63 o
6 16 2 1058.47 1281.22 289.76 o
1 17 2 6.27 -45.85 157.74 o
3 17 2 2733.07 2321.34 243.06 o
5 17 2 1541.46 1735.09 281.88 o
0 18 2 701.11 1305.16 307.88 o
2 18 2 16769.05 17192.66 483.70 o
4 18 2 135.01 -185.41 282.01 o
6 18 2 5233.26 5144.24 409.13 o
1 19 2 42.04 169.49 197.05 o
3 19 2 0.48 -139.51 244.41 o
5 19 2 50.25 -250.75 274.13 o
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2 20 2 15354.66 15806.98 512.38 o
4 20 2 554.13 -96.79 354.06 o
1 21 2 8.55 377.61 256.35 o
3 21 2 1653.28 1967.89 332.67 o
0 22 2 88.68 523.10 386.66 o
2 22 2 2431.40 2738.56 328.46 o
1 23 2 903.96 1672.43 359.40 o
1 1 3 9783.48 10610.62 189.00 o
3 1 3 4934.65 5269.25 121.20 o
5 1 3 5112.50 5350.93 161.37 o
7 1 3 1133.97 1109.26 188.81 o
9 1 3 1395.07 2131.76 339.42 o
0 2 3 137376.86 135299.59 1591.70 o
2 2 3 123894.98 120177.34 1105.21 o
4 2 3 52226.50 50545.88 531.80 o
6 2 3 20549.63 20912.42 339.17 o
8 2 3 4943.04 5833.73 309.70 o
1 3 3 5625.61 5954.78 96.82 o
3 3 3 5209.44 4825.17 163.33 o
5 3 3 3604.63 3648.95 162.14 o
7 3 3 1751.65 1662.91 231.22 o
9 3 3 855.97 1297.07 371.61 o
0 4 3 194626.31 188189.06 2262.89 o
2 4 3 119256.30 109360.41 1638.32 o
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6 4 3 24464.45 25131.73 644.27 o
8 4 3 6729.78 7458.55 345.33 o
1 5 3 11318.66 11697.28 153.48 o
3 5 3 8832.97 9412.08 169.87 o
5 5 3 3168.82 3199.45 153.62 o
7 5 3 3092.43 3130.41 217.43 o
9 5 3 552.48 1427.88 344.41 o
0 6 3 6727.45 7133.35 164.36 o
2 6 3 5808.16 5935.93 138.24 o
4 6 3 4488.57 4636.97 148.58 o
6 6 3 1462.96 1261.41 164.93 o
8 6 3 818.69 1128.58 312.95 o
1 7 3 4718.39 5315.25 129.45 o
3 7 3 6132.68 6327.43 159.06 o
5 7 3 2404.75 2655.57 169.05 o
7 7 3 2831.51 2234.41 206.80 o
9 7 3 529.84 274.95 353.77 o
0 8 3 45476.31 44330.74 623.95 o
2 8 3 60300.66 58555.08 778.72 o
4 8 3 20607.20 19562.52 310.51 o
6 8 3 11358.12 11429.45 293.97 o
8 8 3 1346.14 1213.71 288.19 o
1 9 3 13606.09 13684.57 317.22 o
3 9 3 9512.39 9339.13 185.10 o
5 9 3 4987.05 4843.37 207.09 o
7 9 3 2788.81 2684.40 256.93 o
0 10 3 108402.05 102994.77 1480.45 o
2 10 3 75193.83 71906.96 719.32 o
4 10 3 48869.61 48446.45 700.16 o
6 10 3 17092.81 16536.23 370.95 o
8 10 3 5977.08 6651.02 387.57 o
1 11 3 5714.84 5625.00 178.30 o
3 11 3 3798.58 4286.00 188.09 o
5 11 3 3659.53 3771.71 222.60 o
7 11 3 1083.12 866.72 251.66 o
0 12 3 7153.88 7644.36 252.09 o
2 12 3 19235.99 18547.54 298.59 o
4 12 3 4346.48 4380.27 225.25 o
6 12 3 6414.21 6111.03 299.81 o
8 12 3 767.01 1246.33 342.23 o
1 13 3 10295.96 9432.27 328.84 o
3 13 3 6539.22 6584.83 289.50 o
5 13 3 5804.04 6052.64 268.28 o
7 13 3 1763.58 1457.90 320.45 o
0 14 3 17448.50 17708.53 654.08 o
2 14 3 11052.95 11269.35 281.52 o
4 14 3 7564.37 6859.51 268.06 o
6 14 3 1625.52 1475.38 296.05 o
1 15 3 1252.40 822.84 149.00 o
3 15 3 885.33 967.99 194.47 o
5 15 3 747.17 880.61 250.98 o
7 15 3 264.65 255.94 356.39 o
0 16 3 36116.05 36936.01 731.17 o
2 16 3 43324.00 41697.25 813.72 o
4 16 3 17524.70 18297.80 462.86 o
6 16 3 11305.10 11672.19 516.20 o
1 17 3 2183.11 2298.08 242.12 o
3 17 3 2120.03 2203.10 251.97 o
5 17 3 934.48 1186.67 272.79 o
0 18 3 10218.37 10985.50 456.76 o
2 18 3 11296.52 11564.11 421.98 o
4 18 3 6056.15 6324.21 376.55 o
6 18 3 4075.65 2723.13 382.07 o
1 19 3 2833.36 2983.12 334.79 o
3 19 3 2892.18 3022.46 360.06 o
5 19 3 1310.41 423.41 316.16 o
0 20 3 3713.13 3514.38 476.10 o
2 20 3 792.87 672.07 346.49 o
4 20 3 1465.33 1235.21 312.28 o
1 21 3 715.72 1027.39 312.95 o
3 21 3 679.56 600.94 310.84 o
0 22 3 15620.24 17235.56 756.84 o
2 22 3 10347.27 11724.86 482.42 o
1 23 3 1881.32 2054.60 374.53 o
0 0 4 10410.20 11441.58 323.69 o
2 0 4 33130.19 34380.21 474.53 o
4 0 4 1374.92 1163.83 143.03 o
6 0 4 8070.10 8213.58 351.61 o
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5 1 4 5026.52 4765.69 201.31 o
7 1 4 2513.95 2557.54 344.85 o
9 1 4 2066.59 2025.64 334.93 o
0 2 4 2102.55 2522.76 114.51 o
2 2 4 33319.86 32677.10 527.63 o
4 2 4 1198.41 1243.21 103.28 o
6 2 4 7720.15 7373.68 224.09 o
8 2 4 759.23 399.00 301.82 o
1 3 4 860.82 1296.44 70.25 o
3 3 4 21983.28 22351.18 304.69 o
5 3 4 10357.98 10279.20 305.23 o
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0 4 4 30783.71 30026.70 453.03 o
2 4 4 4602.40 5027.55 128.91 o
4 4 4 14737.39 14832.34 218.77 o
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8 4 4 2510.27 2786.70 264.00 o
1 5 4 4993.77 5530.05 147.81 o
3 5 4 888.47 738.63 88.19 o
5 5 4 8314.27 8121.11 213.05 o
7 5 4 2927.84 3568.96 258.45 o
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0 6 4 65950.97 65113.51 1013.55 o
2 6 4 37.08 37.07 73.51 o
4 6 4 26697.45 26465.28 361.26 o
6 6 4 401.99 440.24 152.36 o
8 6 4 3963.44 4148.36 294.80 o
1 7 4 30.11 118.98 80.72 o
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9 7 4 461.51 118.08 335.35 o
0 8 4 29938.64 30852.41 623.26 o
2 8 4 222.62 422.43 67.36 o
4 8 4 16436.51 16409.48 284.45 o
6 8 4 443.25 347.69 168.86 o
8 8 4 2725.99 3291.84 336.05 o
1 9 4 1425.70 1578.59 109.05 o
3 9 4 6442.45 6428.82 172.93 o
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2 12 4 20694.16 20120.63 364.32 o
4 12 4 36.50 24.27 174.73 o
6 12 4 5599.32 5769.13 297.56 o
8 12 4 348.84 536.60 298.49 o
1 13 4 94.56 107.03 136.80 o
3 13 4 848.73 802.82 160.31 o
5 13 4 94.56 312.82 225.81 o
7 13 4 549.23 586.25 407.73 o
0 14 4 2275.91 1975.06 412.44 o
2 14 4 6029.53 6320.05 253.00 o
4 14 4 954.10 1235.08 202.99 o
6 14 4 1707.21 1747.88 276.57 o
1 15 4 12.45 -35.16 148.98 o
3 15 4 5538.82 5592.82 257.92 o
5 15 4 3273.73 3483.86 276.84 o
7 15 4 6292.93 6882.56 489.51 o
0 16 4 1837.42 1772.44 264.59 o
2 16 4 1914.49 1604.55 211.68 o
4 16 4 1062.33 1471.13 264.81 o
6 16 4 1108.43 1279.85 369.73 o
1 17 4 224.28 331.23 176.96 o
3 17 4 1632.43 1576.21 245.17 o
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2 18 4 24.34 -21.90 216.12 o
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1 19 4 6.74 -41.54 250.83 o
3 19 4 14.25 417.96 251.85 o
5 19 4 34.56 -287.26 287.26 o
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4 20 4 4007.95 3443.25 384.97 o
1 21 4 393.15 500.99 270.94 o
3 21 4 728.71 759.33 613.93 o
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