#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:23:01 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180857 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/88/2018899.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_2018899_Fobs loop_ _publ_author_name 'Arce, Alejandro' 'De Sanctis, Ysaura' 'Galarza, Esperanza' 'Garland, Mar\'ia Teresa' 'Baggio, Ricardo' _publ_section_title ; Two complexes derived from the reaction of M~3~(CO)~12~ clusters (M = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-\m~3~-fluorenylidene-\m~2~-hydrido-triangulo-triosmium(III) ; _journal_coeditor_code DT3019 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 363 _journal_page_last 366 _journal_volume 69 _journal_year 2013 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 93.505 _cell_angle_gamma 90.000 _cell_length_a 10.0290 _cell_length_b 15.2421 _cell_length_c 17.9222 _exptl_crystal_F_000 1232.00 _reflns_d_resolution_high 0.8409 _cod_data_source_file dt3019Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' aa1 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 268.89 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 0 601.71 521.76 81.91 o 4 0 0 57.61 -52.41 189.94 o 6 0 0 7661.15 7620.66 385.62 o 8 0 0 402.95 302.28 126.83 o 10 0 0 4206.53 4180.66 162.17 o 1 1 0 50888.87 50023.13 1825.67 o 2 1 0 944.18 1056.59 65.58 o 3 1 0 262.09 347.18 95.56 o 4 1 0 35.23 31.92 115.61 o 5 1 0 2695.38 2727.29 117.46 o 6 1 0 32.77 53.52 112.13 o 7 1 0 4440.27 4370.46 140.18 o 8 1 0 74.59 85.17 176.52 o 9 1 0 4129.88 4275.13 182.08 o 10 1 0 506.40 473.91 182.88 o 11 1 0 3.10 8.28 175.43 o 0 2 0 34314.65 34506.58 159.88 o 1 2 0 3842.59 3704.84 135.08 o 2 2 0 1623.24 1749.76 119.42 o 3 2 0 1668.48 1944.12 131.46 o 4 2 0 535.06 414.17 91.01 o 5 2 0 6549.76 7016.40 135.31 o 6 2 0 8781.49 8634.10 140.79 o 7 2 0 0.54 138.97 136.09 o 8 2 0 5.11 99.19 123.03 o 9 2 0 8.09 -15.37 174.00 o 10 2 0 303.44 317.63 250.82 o 11 2 0 960.28 961.00 175.65 o 1 3 0 162.15 153.95 128.29 o 2 3 0 3354.42 3501.28 150.08 o 3 3 0 16332.18 16288.96 477.16 o 4 3 0 1323.14 1481.31 110.59 o 5 3 0 2775.24 2866.43 119.85 o 6 3 0 1253.54 1361.52 134.16 o 7 3 0 2515.62 2746.94 155.11 o 8 3 0 279.62 411.30 161.95 o 9 3 0 657.17 718.20 238.86 o 10 3 0 626.57 537.27 132.56 o 11 3 0 11.45 -20.02 213.07 o 0 4 0 119.22 174.89 73.45 o 1 4 0 3395.36 3408.37 123.61 o 2 4 0 10558.20 10902.71 133.30 o 3 4 0 161.14 229.10 97.20 o 4 4 0 4168.09 3987.91 116.53 o 5 4 0 5299.63 5450.29 139.24 o 6 4 0 5756.56 5684.04 168.39 o 7 4 0 7.31 105.18 143.92 o 8 4 0 14.05 14.67 217.12 o 9 4 0 15.51 18.12 196.67 o 10 4 0 1060.44 1032.69 156.70 o 11 4 0 445.32 413.00 91.24 o 1 5 0 451.24 468.68 67.66 o 2 5 0 2683.69 2812.81 74.59 o 3 5 0 23405.12 23262.79 156.80 o 4 5 0 2355.08 2271.47 175.26 o 5 5 0 1356.73 1137.68 121.08 o 6 5 0 130.97 150.05 257.83 o 7 5 0 1097.08 1108.58 164.20 o 8 5 0 1.59 -1.05 152.66 o 9 5 0 478.77 488.49 179.84 o 10 5 0 77.02 105.71 201.31 o 11 5 0 6.32 2.13 154.04 o 0 6 0 473.00 497.64 67.81 o 1 6 0 1820.56 1809.04 76.97 o 2 6 0 6385.38 6211.28 339.26 o 3 6 0 88.67 77.26 109.74 o 4 6 0 12614.43 12733.44 147.24 o 5 6 0 7374.05 7201.03 140.82 o 6 6 0 3607.74 3514.78 153.64 o 7 6 0 263.08 244.13 99.64 o 8 6 0 119.91 195.79 138.49 o 9 6 0 73.20 67.94 218.34 o 10 6 0 728.70 694.37 156.06 o 11 6 0 421.56 400.05 114.72 o 1 7 0 2141.42 2204.80 113.44 o 2 7 0 2682.58 2612.18 170.60 o 3 7 0 7437.39 7545.01 339.55 o 4 7 0 2302.70 2475.53 134.97 o 5 7 0 3.95 116.44 129.53 o 6 7 0 196.82 287.48 140.19 o 7 7 0 1357.10 1285.42 137.98 o 8 7 0 1315.03 1338.29 162.61 o 9 7 0 1050.69 1086.30 193.36 o 10 7 0 115.53 -115.69 140.67 o 0 8 0 310.46 509.64 107.40 o 1 8 0 7185.84 7142.48 124.87 o 2 8 0 11380.14 11634.78 591.42 o 3 8 0 709.91 515.44 170.98 o 4 8 0 1047.99 1182.38 121.62 o 5 8 0 3756.22 3999.07 162.50 o 6 8 0 744.04 756.76 161.13 o 7 8 0 2461.52 2447.50 162.07 o 8 8 0 423.93 267.50 135.91 o 9 8 0 924.09 993.18 252.87 o 10 8 0 118.24 -100.04 100.04 o 1 9 0 260.22 446.51 125.88 o 2 9 0 6781.01 6603.13 139.90 o 3 9 0 2962.82 3031.45 124.51 o 4 9 0 2419.74 2185.70 183.90 o 5 9 0 41.57 30.38 138.09 o 6 9 0 58.09 166.07 148.90 o 7 9 0 200.95 302.33 135.05 o 8 9 0 1299.19 1188.63 147.45 o 9 9 0 653.81 694.81 226.05 o 10 9 0 280.93 221.33 117.92 o 0 10 0 1948.78 1966.91 141.31 o 1 10 0 2692.05 2592.01 124.05 o 2 10 0 219.88 260.46 118.70 o 3 10 0 10.19 -9.30 165.78 o 4 10 0 284.16 284.60 117.69 o 5 10 0 283.92 451.20 146.73 o 6 10 0 487.66 438.06 165.38 o 7 10 0 1936.50 1659.93 200.32 o 8 10 0 766.37 785.51 161.63 o 9 10 0 96.91 -89.67 211.72 o 1 11 0 806.40 746.20 94.79 o 2 11 0 11121.90 10882.58 154.23 o 3 11 0 75.15 70.63 118.07 o 4 11 0 592.79 664.80 139.93 o 5 11 0 10.57 222.89 157.10 o 6 11 0 51.19 -83.40 102.30 o 7 11 0 139.47 210.82 157.16 o 8 11 0 1825.00 2151.33 233.19 o 9 11 0 1.40 6.99 129.81 o 0 12 0 1421.13 1536.89 168.17 o 1 12 0 2135.12 2199.34 161.47 o 2 12 0 0.44 -2.00 141.16 o 3 12 0 281.45 437.12 150.78 o 4 12 0 109.16 118.16 217.78 o 5 12 0 1633.14 1718.92 157.52 o 6 12 0 637.09 530.58 145.72 o 7 12 0 1917.87 1788.21 133.71 o 8 12 0 66.84 -86.66 134.83 o 1 13 0 446.89 379.38 122.63 o 2 13 0 1362.81 1560.49 162.23 o 3 13 0 459.43 511.58 116.40 o 4 13 0 2028.09 2186.06 138.46 o 5 13 0 165.24 253.48 146.04 o 6 13 0 19.52 -32.81 214.88 o 7 13 0 137.82 247.11 127.63 o 8 13 0 694.59 625.67 159.75 o 0 14 0 298.16 359.51 158.29 o 1 14 0 1685.32 1476.46 116.82 o 2 14 0 73.35 75.72 167.63 o 3 14 0 1.63 2.70 92.37 o 4 14 0 20.00 -23.75 184.93 o 5 14 0 1361.18 1400.29 134.07 o 6 14 0 8.86 326.22 232.00 o 7 14 0 186.90 270.09 170.84 o 1 15 0 156.65 90.93 147.53 o 2 15 0 1370.88 1495.21 133.33 o 3 15 0 12.15 -22.49 219.67 o 4 15 0 1213.97 1279.90 158.18 o 5 15 0 2.49 101.16 122.39 o 6 15 0 178.96 225.65 112.83 o 0 16 0 85.71 393.69 173.82 o 1 16 0 1726.64 2179.09 196.49 o 2 16 0 0.10 -40.24 90.36 o 3 16 0 171.15 157.39 123.43 o 4 16 0 77.95 200.17 149.24 o 5 16 0 1424.14 1201.62 189.08 o 1 17 0 6.64 48.25 141.50 o 2 17 0 1181.60 1211.94 166.17 o 3 17 0 440.44 501.09 155.98 o 4 17 0 525.74 448.69 160.46 o 0 18 0 167.40 522.54 183.79 o 1 18 0 598.51 606.48 237.68 o -11 0 1 184.92 265.42 399.00 o -9 0 1 40.02 293.90 176.62 o -7 0 1 12192.49 12190.31 199.30 o -5 0 1 626.69 333.91 117.34 o -3 0 1 2310.44 2169.03 110.29 o -1 0 1 50775.20 49347.36 274.23 o 1 0 1 8863.03 9100.99 84.78 o 3 0 1 270.41 250.84 251.17 o 5 0 1 1819.85 1845.58 118.75 o 7 0 1 1407.80 1741.86 165.35 o 9 0 1 6299.75 6650.92 205.00 o 11 0 1 328.81 295.79 342.63 o -11 1 1 229.47 225.03 221.23 o -10 1 1 1902.60 1879.61 268.53 o -9 1 1 62.92 608.31 183.79 o -8 1 1 7763.42 8128.41 223.28 o -7 1 1 89.41 189.25 162.51 o -6 1 1 4580.63 4767.03 152.65 o -5 1 1 40.50 37.54 273.19 o -4 1 1 7843.39 8281.85 374.74 o -3 1 1 125.34 236.67 101.78 o -2 1 1 3445.30 3399.72 134.97 o -1 1 1 1091.94 1137.07 88.37 o 0 1 1 19894.03 20128.57 58.26 o 1 1 1 1344.05 1390.28 43.02 o 2 1 1 20810.64 21351.30 135.89 o 3 1 1 5603.96 5811.52 117.34 o 4 1 1 531.96 583.61 395.96 o 5 1 1 214.01 521.75 117.34 o 6 1 1 4609.93 4618.05 154.07 o 7 1 1 313.79 367.89 163.94 o 8 1 1 7666.06 8218.99 223.28 o 9 1 1 0.11 40.25 178.10 o 10 1 1 26.79 25.46 229.40 o 11 1 1 31.60 -44.75 279.70 o -11 2 1 798.16 755.97 223.55 o -10 2 1 169.76 136.49 212.49 o -9 2 1 38.30 39.57 193.72 o -8 2 1 320.88 352.93 192.26 o -7 2 1 6754.93 6761.22 189.44 o -6 2 1 84.10 -46.59 139.90 o -5 2 1 73.48 162.10 118.75 o -4 2 1 715.72 407.17 104.58 o -3 2 1 2800.12 2849.44 110.29 o -2 2 1 174.75 222.19 76.43 o -1 2 1 26156.31 26072.62 232.50 o 0 2 1 5840.83 5751.29 39.11 o 1 2 1 17311.29 17440.02 112.40 o 2 2 1 73.95 -32.13 76.98 o 3 2 1 7580.58 7280.63 120.16 o 4 2 1 6491.36 6601.46 125.79 o 5 2 1 1585.12 1456.33 124.45 o 6 2 1 0.81 35.39 141.31 o 7 2 1 969.08 1195.66 168.17 o 8 2 1 0.08 -2.00 301.89 o 9 2 1 617.98 670.04 374.43 o 10 2 1 499.84 425.70 185.76 o 11 2 1 845.17 881.15 286.05 o -11 3 1 0.90 3.54 350.12 o -10 3 1 2790.65 2718.22 232.61 o -9 3 1 625.65 689.30 324.90 o -8 3 1 3603.75 3437.59 209.18 o -7 3 1 47.44 61.10 353.48 o -6 3 1 89.46 197.78 141.31 o -5 3 1 661.87 904.07 121.56 o -4 3 1 18302.82 18758.63 179.51 o -3 3 1 3232.63 3358.55 113.10 o -2 3 1 23220.88 23637.71 192.96 o -1 3 1 2456.25 2336.46 156.18 o 0 3 1 22371.58 22433.70 86.03 o 1 3 1 15786.89 15829.30 165.35 o 2 3 1 40580.21 40691.98 193.93 o 3 3 1 7744.50 7902.24 124.45 o 4 3 1 594.76 530.31 111.64 o 5 3 1 2247.45 2682.65 131.49 o 6 3 1 3533.56 3365.79 158.29 o 7 3 1 6.22 251.45 168.17 o 8 3 1 4850.87 4567.05 206.41 o 9 3 1 2.88 -1.78 213.74 o 10 3 1 61.47 -47.60 162.57 o 11 3 1 10.76 11.10 301.03 o -11 4 1 1609.08 1485.56 232.02 o -10 4 1 295.59 303.96 247.69 o -9 4 1 178.96 179.28 184.12 o -8 4 1 794.77 866.54 195.08 o -7 4 1 1220.88 1396.52 175.22 o -6 4 1 453.80 415.30 165.19 o -5 4 1 8680.33 8829.15 156.89 o -4 4 1 311.44 424.63 114.52 o -3 4 1 2693.78 3012.69 110.29 o -2 4 1 9806.98 9938.16 92.44 o -1 4 1 4584.91 4630.81 101.78 o 0 4 1 3672.72 3704.20 55.28 o 1 4 1 8.23 11.49 314.91 o 2 4 1 48.12 31.33 70.41 o 3 4 1 14230.96 13904.06 144.13 o 4 4 1 5269.05 5308.92 137.10 o 5 4 1 10745.49 10774.43 166.76 o 6 4 1 697.96 669.16 147.01 o 7 4 1 440.20 589.27 172.41 o 8 4 1 21.95 146.70 180.97 o 9 4 1 957.57 920.70 119.28 o 10 4 1 167.83 155.75 161.12 o 11 4 1 929.39 1056.29 382.17 o -11 5 1 94.32 -98.17 270.64 o -10 5 1 1526.23 1386.21 195.14 o -9 5 1 1362.00 1568.04 390.31 o -8 5 1 809.90 769.04 188.02 o -7 5 1 336.62 456.17 172.41 o -6 5 1 33.13 -26.37 155.48 o -5 5 1 188.86 222.87 131.49 o -4 5 1 8359.86 8486.25 152.65 o -3 5 1 15334.15 15255.76 156.89 o -2 5 1 3931.40 4086.19 118.75 o -1 5 1 4136.27 4141.59 76.01 o 0 5 1 311.73 335.76 48.56 o 1 5 1 4804.76 4838.90 77.45 o 2 5 1 5583.67 5586.19 83.43 o 3 5 1 759.32 869.85 104.58 o 4 5 1 780.55 920.37 121.56 o 5 5 1 200.45 411.90 128.63 o 6 5 1 2003.43 2518.30 165.35 o 7 5 1 3172.25 3321.14 193.66 o 8 5 1 2798.41 2932.55 195.08 o 9 5 1 188.89 194.60 324.73 o 10 5 1 38.44 40.79 297.98 o 11 5 1 1.70 1.07 261.26 o -11 6 1 634.14 664.55 235.97 o -10 6 1 111.94 -109.13 116.64 o -9 6 1 94.83 -95.24 179.94 o -8 6 1 541.21 876.80 182.38 o -7 6 1 119.11 419.89 179.51 o -6 6 1 1321.74 1576.00 165.35 o -5 6 1 1869.64 2021.14 149.83 o -4 6 1 1591.78 1262.00 130.08 o -3 6 1 727.88 570.99 111.64 o -2 6 1 2712.27 2569.69 111.64 o -1 6 1 3242.09 3198.99 101.78 o 0 6 1 2366.50 2339.43 51.37 o 1 6 1 914.44 1021.08 70.95 o 2 6 1 1130.50 1229.92 107.40 o 3 6 1 4798.95 4924.87 130.08 o 4 6 1 324.43 296.57 249.70 o 5 6 1 9796.91 9476.04 172.41 o 6 6 1 2763.61 2955.89 175.22 o 7 6 1 206.39 237.68 323.37 o 8 6 1 6.83 54.90 170.98 o 9 6 1 693.13 655.64 122.98 o 10 6 1 231.48 228.51 164.80 o 11 6 1 496.62 499.52 216.08 o -11 7 1 293.33 283.34 211.07 o -10 7 1 808.10 828.19 255.94 o -9 7 1 244.53 195.98 132.52 o -8 7 1 218.53 320.90 172.41 o -7 7 1 3.64 -113.90 186.61 o -6 7 1 0.45 219.41 154.07 o -5 7 1 2126.10 1911.03 156.89 o -4 7 1 5768.90 5734.83 158.29 o -3 7 1 4048.29 4141.84 135.67 o -2 7 1 274.92 187.56 111.64 o -1 7 1 83.39 -90.13 315.83 o 0 7 1 2415.69 2365.62 78.99 o 1 7 1 6017.05 6167.79 130.08 o 2 7 1 4943.62 4912.27 135.67 o 3 7 1 1561.14 1523.98 122.98 o 4 7 1 2528.06 2695.35 145.60 o 5 7 1 17.00 -23.69 149.83 o 6 7 1 5678.06 5523.27 192.26 o 7 7 1 1970.09 2339.76 190.85 o 8 7 1 903.74 916.53 178.10 o 9 7 1 3.76 8.13 191.93 o 10 7 1 246.11 272.62 353.37 o -10 8 1 36.43 -33.88 238.76 o -9 8 1 176.42 -199.74 275.14 o -8 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161.12 o 4 9 1 849.24 805.59 162.51 o 5 9 1 28.25 119.62 176.62 o 6 9 1 6597.96 6348.79 209.18 o 7 9 1 1891.33 1846.78 178.10 o 8 9 1 674.72 707.41 189.44 o 9 9 1 40.03 49.53 210.10 o 10 9 1 393.35 403.40 233.05 o -9 10 1 0.68 0.25 224.76 o -8 10 1 781.09 820.77 185.15 o -7 10 1 404.51 -146.73 169.58 o -6 10 1 7498.25 7499.22 202.19 o -5 10 1 430.16 589.11 188.02 o -4 10 1 1241.80 1507.98 170.98 o -3 10 1 118.64 327.95 152.65 o -2 10 1 255.51 232.46 147.01 o -1 10 1 1889.97 1966.21 144.13 o 0 10 1 3307.29 3213.30 103.93 o 1 10 1 77.17 -91.95 263.55 o 2 10 1 338.77 566.07 148.42 o 3 10 1 72.01 75.70 220.09 o 4 10 1 1747.03 1925.86 172.41 o 5 10 1 629.99 367.29 180.97 o 6 10 1 1657.66 1912.76 178.10 o 7 10 1 47.97 -53.65 326.20 o 8 10 1 1233.42 1347.26 196.49 o 9 10 1 6.69 11.29 178.64 o -9 11 1 402.45 396.69 205.76 o -8 11 1 85.63 73.57 181.51 o -7 11 1 470.31 445.32 182.38 o -6 11 1 821.77 398.94 166.76 o -5 11 1 1857.29 1963.01 175.22 o -4 11 1 329.73 401.15 173.82 o -3 11 1 1888.83 2107.86 170.98 o -2 11 1 882.33 1104.98 159.71 o -1 11 1 1108.61 992.70 156.89 o 0 11 1 763.43 942.29 103.23 o 1 11 1 7547.90 7736.27 186.61 o 2 11 1 573.04 519.20 159.71 o 3 11 1 3406.35 3644.18 183.79 o 4 11 1 27.46 35.29 261.21 o 5 11 1 62.97 276.45 173.82 o 6 11 1 163.49 -146.76 165.35 o 7 11 1 1181.28 1133.00 192.26 o 8 11 1 476.95 338.29 199.30 o 9 11 1 478.89 437.77 326.52 o -8 12 1 154.67 145.84 178.97 o -7 12 1 1460.62 1240.61 197.89 o -6 12 1 3081.50 2723.58 197.89 o -5 12 1 115.02 583.15 165.35 o -4 12 1 136.55 343.79 175.22 o -3 12 1 709.72 840.13 176.62 o -2 12 1 2205.34 2390.95 178.10 o -1 12 1 228.58 281.11 165.35 o 0 12 1 7030.53 6803.46 135.34 o 1 12 1 42.21 326.26 169.58 o 2 12 1 137.14 90.04 166.76 o 3 12 1 373.23 227.74 180.97 o 4 12 1 3522.68 3526.69 183.79 o 5 12 1 82.99 255.88 169.58 o 6 12 1 836.35 1239.03 179.51 o 7 12 1 650.40 724.12 186.61 o 8 12 1 20.69 -27.30 304.44 o -8 13 1 155.50 154.91 233.54 o -7 13 1 135.48 49.44 185.15 o -6 13 1 202.78 101.00 179.51 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