#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:39:14 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180795 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/26/2012666.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_2012666_Fobs loop_ _publ_author_name 'Schultz, Madeleine' 'Straub, Bernd F.' 'Hofmann, Peter' _publ_section_title ; [P,P-Di-tert-butyl-N-trimethylsilyl-P-(trimethylsilylamino)phosphine imidato-\k^2^N,N']bis(pyridine-\kN)lithium(I) ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m256 _journal_page_last m257 _journal_volume 58 _journal_year 2002 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 92.302 _cell_angle_gamma 90.000 _cell_length_a 8.8980 _cell_length_b 19.3848 _cell_length_c 17.5894 _exptl_crystal_F_000 1056.00 _reflns_d_resolution_high 0.8699 _cod_data_source_file tr1011Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' msc12s in C2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 279.07 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' '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 2 0 0 10722.95 9997.85 178.35 o 4 0 0 4678.69 4710.33 96.83 o 6 0 0 244.36 227.11 46.98 o 8 0 0 1259.31 1278.28 83.22 o 10 0 0 529.45 489.76 95.98 o 1 1 0 14336.89 13164.32 168.63 o 3 1 0 27.20 50.11 8.81 o 5 1 0 900.09 792.75 15.53 o 7 1 0 148.32 177.45 39.23 o 9 1 0 1644.79 1590.31 68.44 o 0 2 0 347.80 240.54 13.98 o 2 2 0 363.90 311.69 6.49 o 4 2 0 503.85 425.60 19.28 o 6 2 0 559.64 603.65 30.96 o 8 2 0 12.19 -27.93 58.02 o 10 2 0 1.37 -46.00 46.00 o 1 3 0 15191.78 13241.58 59.54 o 3 3 0 5177.03 5371.86 73.42 o 5 3 0 68.51 75.52 20.75 o 7 3 0 1313.62 1231.57 51.04 o 9 3 0 183.96 109.47 62.49 o 0 4 0 716.86 635.87 40.21 o 2 4 0 154.08 89.75 10.97 o 4 4 0 561.50 641.42 20.98 o 6 4 0 97.64 116.33 24.69 o 8 4 0 116.79 106.20 42.15 o 10 4 0 138.44 25.40 55.45 o 1 5 0 2645.96 2675.13 51.08 o 3 5 0 299.87 368.18 23.79 o 5 5 0 298.38 294.00 16.93 o 7 5 0 106.23 116.19 46.36 o 9 5 0 455.56 474.96 60.36 o 0 6 0 497.82 442.32 49.19 o 2 6 0 821.90 789.39 16.32 o 4 6 0 678.79 586.30 22.21 o 6 6 0 67.57 66.25 39.43 o 8 6 0 63.09 77.96 58.22 o 1 7 0 189.77 192.01 11.52 o 3 7 0 5693.53 5488.22 117.78 o 5 7 0 1359.40 1338.42 31.92 o 7 7 0 299.35 279.55 33.33 o 9 7 0 44.19 -45.29 64.38 o 0 8 0 254.65 271.80 17.78 o 2 8 0 3880.17 3367.84 44.06 o 4 8 0 616.95 716.57 33.69 o 6 8 0 4266.06 3629.40 106.67 o 8 8 0 287.04 317.10 59.17 o 1 9 0 95.79 98.73 13.11 o 3 9 0 1675.08 1442.59 47.13 o 5 9 0 4.80 12.13 27.98 o 7 9 0 557.46 509.65 38.53 o 9 9 0 2.72 -25.60 50.70 o 0 10 0 2746.61 2709.64 37.61 o 2 10 0 633.12 664.69 24.62 o 4 10 0 930.31 841.33 25.89 o 6 10 0 7.26 43.33 26.82 o 8 10 0 0.43 18.05 46.31 o 1 11 0 135.22 116.16 16.11 o 3 11 0 301.26 281.15 22.28 o 5 11 0 1724.93 1707.58 46.01 o 7 11 0 33.65 40.99 35.74 o 0 12 0 2463.05 2245.80 81.89 o 2 12 0 2142.91 2109.17 45.53 o 4 12 0 787.67 700.58 28.30 o 6 12 0 54.52 80.90 31.71 o 8 12 0 123.49 245.84 58.81 o 1 13 0 83.67 64.95 19.83 o 3 13 0 757.45 832.66 27.74 o 5 13 0 43.51 30.91 24.86 o 7 13 0 1349.06 1348.95 76.33 o 0 14 0 50.37 74.33 24.81 o 2 14 0 25.78 14.07 18.05 o 4 14 0 54.39 25.82 24.42 o 6 14 0 163.26 117.54 42.26 o 1 15 0 611.35 603.53 29.65 o 3 15 0 8.91 38.74 28.26 o 5 15 0 1004.62 1072.21 44.55 o 7 15 0 10.89 4.91 43.04 o 0 16 0 3700.73 3566.10 106.36 o 2 16 0 4.42 -24.65 24.65 o 4 16 0 1127.82 1205.74 45.37 o 6 16 0 56.50 38.13 44.49 o 1 17 0 144.62 160.45 41.32 o 3 17 0 10.60 -30.65 30.65 o 5 17 0 215.33 161.56 39.70 o 0 18 0 60.33 6.19 48.14 o 2 18 0 64.40 84.39 37.75 o 4 18 0 169.33 175.34 41.16 o 6 18 0 2.59 -67.67 67.67 o 1 19 0 387.16 381.10 46.77 o 3 19 0 36.96 42.76 40.92 o 5 19 0 213.39 266.20 52.57 o 0 20 0 52.45 81.15 62.38 o 2 20 0 4.10 -22.56 40.63 o 4 20 0 78.73 163.59 52.81 o 1 21 0 453.91 680.13 61.08 o 3 21 0 0.70 14.57 45.91 o 0 22 0 37.98 176.89 75.32 o -9 1 1 796.95 903.69 64.91 o -7 1 1 418.83 390.56 43.74 o -5 1 1 103.11 181.92 23.88 o -3 1 1 4206.32 5173.90 247.08 o -1 1 1 14178.69 13333.74 549.14 o 1 1 1 15903.00 13171.69 664.32 o 3 1 1 33.41 49.01 7.64 o 5 1 1 1351.31 1472.77 26.91 o 7 1 1 100.88 1.58 34.27 o 9 1 1 842.88 731.30 58.54 o -10 2 1 605.29 742.06 73.40 o -8 2 1 6.81 -55.45 55.45 o -6 2 1 977.94 898.38 62.61 o -4 2 1 26.37 23.33 13.81 o -2 2 1 1182.06 1351.13 10.85 o 0 2 1 13426.24 11453.47 710.51 o 2 2 1 14030.95 13164.04 178.72 o 4 2 1 84.51 82.09 13.15 o 6 2 1 1564.91 1520.26 34.13 o 8 2 1 1902.35 1954.84 95.98 o 10 2 1 4.29 -84.88 84.88 o -9 3 1 218.10 180.41 54.09 o -7 3 1 74.96 25.67 33.98 o -5 3 1 2209.69 2237.66 83.08 o -3 3 1 2.02 4.47 6.97 o -1 3 1 16781.69 15572.91 259.16 o 1 3 1 2735.65 2702.31 160.96 o 3 3 1 558.31 479.73 16.59 o 5 3 1 355.48 310.30 22.55 o 7 3 1 115.28 159.96 39.09 o 9 3 1 581.36 624.52 60.94 o -10 4 1 143.76 192.70 60.74 o -8 4 1 261.39 299.69 53.93 o -6 4 1 72.71 98.24 21.92 o -4 4 1 2312.03 2299.98 45.32 o -2 4 1 24.21 83.83 10.60 o 0 4 1 11095.66 8569.73 379.10 o 2 4 1 4853.96 4748.75 65.37 o 4 4 1 1539.91 1424.17 28.88 o 6 4 1 98.93 137.85 28.19 o 8 4 1 480.48 550.48 54.92 o 10 4 1 133.44 117.33 62.99 o -9 5 1 39.91 26.74 44.31 o -7 5 1 4153.85 4163.34 125.98 o -5 5 1 1063.75 1044.49 33.64 o -3 5 1 6337.02 6340.12 36.66 o -1 5 1 5043.72 5244.64 82.09 o 1 5 1 434.81 383.25 14.89 o 3 5 1 278.23 274.24 14.37 o 5 5 1 43.35 52.05 15.24 o 7 5 1 0.33 -5.53 25.22 o 9 5 1 63.47 34.85 45.39 o -8 6 1 829.99 901.87 57.87 o -6 6 1 271.80 209.83 43.72 o -4 6 1 1717.83 1724.58 55.67 o -2 6 1 908.47 1011.22 16.66 o 0 6 1 4177.44 3954.69 167.42 o 2 6 1 18931.75 17990.40 238.55 o 4 6 1 3437.60 3398.85 48.72 o 6 6 1 5244.58 4920.72 175.28 o 8 6 1 123.17 144.45 44.45 o -9 7 1 35.51 -28.86 42.46 o -7 7 1 1344.49 1119.02 86.97 o -5 7 1 19.41 44.18 21.32 o -3 7 1 11906.37 12210.47 87.36 o -1 7 1 1406.81 1314.65 25.56 o 1 7 1 2300.67 2142.77 43.13 o 3 7 1 646.74 708.86 27.08 o 5 7 1 954.39 889.29 33.72 o 7 7 1 1285.42 1188.68 44.80 o 9 7 1 197.27 209.35 56.25 o -8 8 1 63.50 40.58 45.80 o -6 8 1 49.52 61.86 25.99 o -4 8 1 468.28 436.57 20.48 o -2 8 1 59.60 27.99 12.78 o 0 8 1 447.35 332.92 14.90 o 2 8 1 2119.76 1928.31 47.80 o 4 8 1 237.58 232.11 20.36 o 6 8 1 291.98 329.15 31.79 o 8 8 1 7.49 -0.98 38.26 o -9 9 1 4.80 -40.30 40.30 o -7 9 1 645.42 630.32 41.17 o -5 9 1 15.97 26.50 18.44 o -3 9 1 9985.93 9418.69 140.30 o -1 9 1 341.14 373.29 14.16 o 1 9 1 164.50 110.54 14.89 o 3 9 1 1401.75 1284.40 49.19 o 5 9 1 666.86 541.99 29.00 o 7 9 1 578.41 494.16 37.01 o 9 9 1 47.23 -34.99 49.40 o -8 10 1 870.03 984.64 78.88 o -6 10 1 285.42 293.70 35.35 o -4 10 1 201.84 245.73 24.90 o -2 10 1 101.71 30.37 13.72 o 0 10 1 43.06 13.32 10.46 o 2 10 1 4840.90 4406.90 122.57 o 4 10 1 1.47 -6.13 21.23 o 6 10 1 767.90 696.04 44.02 o 8 10 1 41.48 -15.62 45.07 o -7 11 1 197.86 251.53 44.91 o -5 11 1 2.07 32.09 21.96 o -3 11 1 2408.77 2139.18 50.30 o -1 11 1 125.73 110.22 14.83 o 1 11 1 2135.52 1870.14 71.14 o 3 11 1 258.28 238.32 20.96 o 5 11 1 1736.22 1545.91 32.71 o 7 11 1 236.62 191.07 37.06 o -8 12 1 10.39 37.36 49.82 o -6 12 1 555.61 561.98 45.18 o -4 12 1 2246.44 2181.69 35.80 o -2 12 1 1419.84 1483.39 52.17 o 0 12 1 54.32 71.96 14.35 o 2 12 1 0.19 -13.74 13.74 o 4 12 1 3643.01 3439.54 48.00 o 6 12 1 520.91 475.06 42.04 o 8 12 1 170.22 139.87 78.80 o -7 13 1 6.95 2.87 35.30 o -5 13 1 396.60 340.98 30.37 o -3 13 1 15.11 -1.28 18.99 o -1 13 1 462.74 457.28 41.03 o 1 13 1 4.71 -11.25 14.93 o 3 13 1 1957.24 1753.70 32.64 o 5 13 1 511.80 530.62 32.74 o 7 13 1 4.15 -20.14 39.98 o -6 14 1 39.22 85.82 56.24 o -4 14 1 295.97 244.07 31.93 o -2 14 1 264.58 226.55 39.73 o 0 14 1 3274.57 3165.57 29.28 o 2 14 1 48.37 43.35 24.28 o 4 14 1 719.02 735.35 40.14 o 6 14 1 308.09 331.99 40.52 o -7 15 1 25.57 57.87 47.72 o -5 15 1 49.38 -6.51 31.71 o -3 15 1 66.18 58.08 28.46 o -1 15 1 1474.22 1493.85 50.82 o 1 15 1 47.62 18.36 30.35 o 3 15 1 409.56 416.21 28.64 o 5 15 1 191.55 165.92 34.50 o 7 15 1 52.66 6.08 45.45 o -6 16 1 144.33 113.39 49.20 o -4 16 1 52.40 0.82 29.44 o -2 16 1 36.12 18.64 26.45 o 0 16 1 170.65 159.16 32.40 o 2 16 1 15.37 23.76 32.73 o 4 16 1 31.56 42.47 31.85 o 6 16 1 3.68 -8.82 43.06 o -5 17 1 830.54 957.13 48.94 o -3 17 1 70.64 34.13 49.92 o -1 17 1 296.92 269.66 39.16 o 1 17 1 211.64 179.25 36.43 o 3 17 1 299.79 312.78 56.95 o 5 17 1 436.53 507.57 53.95 o -6 18 1 345.29 393.62 67.61 o -4 18 1 81.98 64.33 40.25 o -2 18 1 12.31 49.32 34.87 o 0 18 1 418.68 498.08 45.72 o 2 18 1 182.69 167.00 37.29 o 4 18 1 434.60 543.09 49.73 o -5 19 1 182.06 328.35 67.43 o -3 19 1 31.49 72.95 41.55 o -1 19 1 1241.10 1349.76 55.54 o 1 19 1 68.28 -2.22 34.64 o 3 19 1 36.74 63.42 41.78 o 5 19 1 0.71 -5.49 41.89 o -4 20 1 18.13 73.60 48.97 o -2 20 1 134.13 222.27 53.93 o 0 20 1 1309.56 1483.20 90.83 o 2 20 1 252.32 130.34 48.37 o 4 20 1 43.91 60.62 50.20 o -3 21 1 471.54 622.66 80.66 o -1 21 1 2.02 -40.90 40.90 o 1 21 1 284.56 310.03 53.81 o 3 21 1 59.02 -25.30 79.46 o 0 22 1 2.89 -46.22 46.22 o -10 0 2 654.27 607.38 123.25 o -8 0 2 71.95 -58.41 91.04 o -6 0 2 1326.22 1128.25 66.72 o -4 0 2 576.00 683.54 24.17 o -2 0 2 3500.93 4004.82 34.88 o 0 0 2 17193.38 21205.41 223.18 o 2 0 2 21389.24 23112.98 233.94 o 4 0 2 5306.04 5776.62 192.08 o 6 0 2 524.33 570.21 34.01 o 8 0 2 5235.54 5287.51 108.26 o 10 0 2 24.59 -92.44 109.22 o -9 1 2 16.38 0.30 46.24 o -7 1 2 299.81 302.40 44.61 o -5 1 2 864.01 782.34 65.22 o -3 1 2 120.41 101.01 11.71 o -1 1 2 39629.67 42468.87 523.60 o 1 1 2 3.12 34.20 5.66 o 3 1 2 27.27 24.46 16.82 o 5 1 2 416.32 403.40 17.66 o 7 1 2 214.77 270.80 41.92 o 9 1 2 507.96 500.50 58.28 o -10 2 2 31.44 14.23 63.43 o -8 2 2 79.61 98.09 43.98 o -6 2 2 2.42 -15.21 29.72 o -4 2 2 1448.44 1243.90 58.97 o -2 2 2 1119.30 1244.42 30.19 o 0 2 2 7887.34 7357.88 81.36 o 2 2 2 135.90 166.93 10.56 o 4 2 2 97.32 128.23 15.87 o 6 2 2 247.85 259.26 28.56 o 8 2 2 232.95 240.50 59.30 o 10 2 2 17.31 -61.82 69.17 o -9 3 2 34.17 -65.34 65.34 o -7 3 2 465.00 423.96 43.39 o -5 3 2 1313.84 1320.72 75.90 o -3 3 2 1676.83 2092.86 30.14 o -1 3 2 20868.22 21186.29 173.33 o 1 3 2 77879.16 69051.38 713.49 o 3 3 2 237.72 219.97 11.38 o 5 3 2 1535.72 1588.16 26.00 o 7 3 2 6.83 5.25 34.37 o 9 3 2 177.68 43.86 47.24 o -10 4 2 448.21 616.58 72.68 o -8 4 2 1763.97 1647.87 60.90 o -6 4 2 415.87 370.13 26.85 o -4 4 2 549.92 448.73 19.83 o -2 4 2 18114.10 18450.53 229.99 o 0 4 2 10270.61 9326.53 129.00 o 2 4 2 4885.09 5014.05 57.34 o 4 4 2 735.53 811.70 22.95 o 6 4 2 225.05 235.53 28.88 o 8 4 2 1010.30 997.82 56.82 o -9 5 2 1.54 -44.69 44.69 o -7 5 2 14.81 56.10 37.39 o -5 5 2 122.00 111.96 21.51 o -3 5 2 73.25 52.57 13.16 o -1 5 2 5227.14 5367.86 114.68 o 1 5 2 5017.05 4675.09 42.20 o 3 5 2 3.57 54.15 13.57 o 5 5 2 411.04 363.43 27.89 o 7 5 2 40.27 63.65 28.61 o 9 5 2 264.94 214.90 53.87 o -8 6 2 408.73 486.89 52.24 o -6 6 2 5.98 -15.04 22.22 o -4 6 2 1030.63 1034.91 36.78 o -2 6 2 193.14 182.64 12.93 o 0 6 2 10846.13 9303.04 264.21 o 2 6 2 256.58 217.82 12.82 o 4 6 2 50.73 1.01 23.26 o 6 6 2 0.21 24.92 42.08 o 8 6 2 20.78 17.33 39.33 o -9 7 2 214.49 172.92 64.22 o -7 7 2 426.70 394.56 32.00 o -5 7 2 10.67 17.66 17.51 o -3 7 2 9757.17 9210.78 127.07 o -1 7 2 202.34 184.64 10.11 o 1 7 2 2145.84 1950.68 59.56 o 3 7 2 61.32 75.77 15.16 o 5 7 2 3964.75 3696.41 56.27 o 7 7 2 373.62 367.96 36.78 o 9 7 2 1.97 3.97 48.19 o -8 8 2 365.08 342.34 52.30 o -6 8 2 194.22 218.63 31.32 o -4 8 2 10588.81 9848.91 135.79 o -2 8 2 363.52 357.26 16.88 o 0 8 2 716.06 539.66 35.58 o 2 8 2 2224.84 1850.84 34.38 o 4 8 2 686.10 719.72 23.23 o 6 8 2 2622.92 2338.10 93.44 o 8 8 2 7.04 2.48 42.08 o -9 9 2 152.69 172.62 56.95 o -7 9 2 623.35 491.38 48.77 o -5 9 2 203.52 264.15 30.30 o -3 9 2 2825.50 2504.33 50.12 o -1 9 2 1766.62 1562.15 105.55 o 1 9 2 4445.78 3716.86 74.58 o 3 9 2 348.38 359.20 18.94 o 5 9 2 5580.36 4872.31 112.55 o 7 9 2 203.48 153.93 37.47 o 9 9 2 13.28 -77.73 77.73 o -8 10 2 249.12 164.50 50.12 o -6 10 2 221.33 190.34 31.92 o -4 10 2 2500.72 2375.19 53.28 o -2 10 2 943.08 984.96 24.43 o 0 10 2 70.40 74.03 10.65 o 2 10 2 382.89 338.29 19.96 o 4 10 2 1208.40 1095.07 49.98 o 6 10 2 410.55 408.29 38.31 o 8 10 2 48.88 7.90 42.84 o -7 11 2 49.48 5.50 32.64 o -5 11 2 1313.40 1244.51 53.05 o -3 11 2 50.19 56.76 18.09 o -1 11 2 4024.32 3179.22 192.06 o 1 11 2 2467.00 2227.23 62.45 o 3 11 2 182.30 174.55 19.97 o 5 11 2 130.59 186.32 25.52 o 7 11 2 32.52 11.00 32.58 o -8 12 2 651.65 710.55 65.01 o -6 12 2 444.26 420.84 39.72 o -4 12 2 751.25 721.18 29.99 o -2 12 2 250.67 279.51 21.04 o 0 12 2 4.94 19.99 15.64 o 2 12 2 563.17 611.08 23.01 o 4 12 2 366.41 367.35 26.88 o 6 12 2 646.69 683.52 41.27 o 8 12 2 598.65 691.08 64.62 o -7 13 2 80.98 29.18 40.21 o -5 13 2 374.85 356.40 30.63 o -3 13 2 716.68 750.96 28.43 o -1 13 2 757.53 702.45 29.90 o 1 13 2 436.34 356.00 22.34 o 3 13 2 1.29 -19.76 19.76 o 5 13 2 367.56 334.93 32.47 o 7 13 2 74.21 51.37 36.70 o -6 14 2 691.75 726.96 54.88 o -4 14 2 3.29 -24.08 25.82 o -2 14 2 19.07 26.70 23.74 o 0 14 2 35.46 45.63 24.15 o 2 14 2 489.88 497.70 25.70 o 4 14 2 291.42 349.27 40.24 o 6 14 2 72.74 106.76 37.97 o -7 15 2 709.92 774.82 60.17 o -5 15 2 218.17 147.01 34.02 o -3 15 2 8.09 11.19 26.14 o -1 15 2 2385.81 2346.55 40.88 o 1 15 2 317.20 325.99 28.38 o 3 15 2 1124.19 1108.08 33.70 o 5 15 2 2.45 -25.64 25.64 o 7 15 2 20.09 -43.98 43.98 o -6 16 2 982.33 1191.28 64.08 o -4 16 2 16.70 7.67 31.36 o -2 16 2 562.06 603.93 36.73 o 0 16 2 1228.03 1197.64 36.28 o 2 16 2 296.21 225.51 38.87 o 4 16 2 639.97 650.65 45.84 o 6 16 2 11.67 74.70 48.11 o -5 17 2 139.09 169.33 42.37 o -3 17 2 61.93 47.25 32.22 o -1 17 2 745.27 771.98 62.23 o 1 17 2 9.92 13.85 33.69 o 3 17 2 47.66 140.51 38.35 o 5 17 2 3.75 -20.41 38.06 o -4 18 2 76.86 94.33 39.55 o -2 18 2 240.41 227.99 41.34 o 0 18 2 276.14 333.54 42.73 o 2 18 2 2.05 -22.49 43.76 o 4 18 2 57.85 -2.42 43.93 o -5 19 2 107.02 48.41 56.68 o -3 19 2 43.38 85.67 40.72 o -1 19 2 39.08 0.52 36.35 o 1 19 2 683.81 738.08 50.21 o 3 19 2 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