#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2217794.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_2217794_Fobs loop_ _publ_author_name 'Oyama, Dai' 'Hamada, Takashi' _publ_section_title ; cis,trans-Dicarbonyldichlorido[2-(2-pyridyl)-1,8-naphthyridine-\kN^1^,N^2^]ruthenium(II) ; _journal_coeditor_code IS2275 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m442 _journal_page_last m443 _journal_volume 64 _journal_year 2008 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _[local]_cod_data_source_file is2275Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_sigma _refln_F_squared_calc _refln_observed_status 4 0 0 313.64 1.66 254.20 o 4 0 0 256.64 3.06 254.20 o 4 0 0 303.46 3.80 254.20 o 4 0 0 265.36 2.02 254.20 o 6 0 0 3465.68 1.12 3322.40 o 6 0 0 3216.02 1.82 3322.40 o 6 0 0 3938.82 1.02 3322.40 o 8 0 0 914.46 1.72 758.30 o 8 0 0 864.36 2.31 758.30 o 8 0 0 1411.50 5.29 758.30 o 10 0 0 15572.54 1.23 15425.94 o 10 0 0 15376.00 2.53 15425.94 o 12 0 0 7111.55 4.04 6038.37 o 12 0 0 6006.25 2.22 6038.37 o 14 0 0 2834.50 3.10 2741.29 o 14 0 0 2810.06 5.62 2741.29 o 16 0 0 655.36 7.78 571.49 o 16 0 0 672.88 11.90 571.49 o 3 1 0 7313.67 0.79 7652.51 o 3 1 0 7294.87 1.06 7652.51 o 3 1 0 7301.70 1.14 7652.51 o 3 1 0 7265.86 0.52 7652.51 o 3 1 0 7214.80 0.67 7652.51 o 3 1 0 6980.60 0.46 7652.51 o 3 1 0 7138.56 0.85 7652.51 o 4 1 0 877.94 1.17 404.95 o 4 1 0 944.95 1.74 404.95 o 4 1 0 776.18 3.28 404.95 o 4 1 0 822.54 3.24 404.95 o 4 1 0 637.06 2.43 404.95 o 4 1 0 872.02 2.53 404.95 o 4 1 0 717.70 1.06 404.95 o 5 1 0 314.71 3.80 18.92 o 5 1 0 309.76 7.67 18.92 o 6 1 0 9574.62 0.69 8831.93 o 6 1 0 9072.56 0.61 8831.93 o 6 1 0 8738.51 1.35 8831.93 o 6 1 0 8732.90 1.59 8831.93 o 6 1 0 9395.42 1.35 8831.93 o 6 1 0 8611.84 1.21 8831.93 o 7 1 0 4460.90 2.02 4924.29 o 7 1 0 4658.06 0.92 4924.29 o 7 1 0 4591.42 1.85 4924.29 o 7 1 0 4693.62 1.44 4924.29 o 7 1 0 4671.72 1.14 4924.29 o 7 1 0 4835.81 1.10 4924.29 o 8 1 0 6449.70 2.59 6328.85 o 8 1 0 6160.68 0.98 6328.85 o 8 1 0 5887.49 1.37 6328.85 o 8 1 0 6379.22 1.28 6328.85 o 8 1 0 6691.24 2.43 6328.85 o 8 1 0 6678.16 1.39 6328.85 o 9 1 0 1824.14 2.10 1704.09 o 9 1 0 1706.52 2.50 1704.09 o 9 1 0 2132.59 4.45 1704.09 o 9 1 0 2085.75 4.24 1704.09 o 10 1 0 26098.40 2.99 24814.38 o 10 1 0 25930.66 3.65 24814.38 o 10 1 0 25982.22 3.96 24814.38 o 12 1 0 626.00 8.35 551.48 o 12 1 0 599.76 9.06 551.48 o 12 1 0 752.95 6.05 551.48 o 12 1 0 476.55 4.24 551.48 o 14 1 0 912.04 4.80 823.89 o 14 1 0 882.09 5.02 823.89 o 14 1 0 901.80 13.69 823.89 o 14 1 0 873.79 12.60 823.89 o 15 1 0 592.92 5.81 621.05 o 15 1 0 761.21 10.96 621.05 o 15 1 0 441.00 6.55 621.05 o 15 1 0 790.73 13.18 621.05 o 16 1 0 7185.95 5.29 6880.01 o 16 1 0 6950.56 3.35 6880.01 o 16 1 0 7172.40 2.92 6880.01 o 16 1 0 7274.38 5.29 6880.01 o 17 1 0 1489.96 8.94 1868.17 o 17 1 0 2429.50 9.18 1868.17 o 18 1 0 1080.44 15.37 867.89 o 18 1 0 838.10 13.69 867.89 o 2 2 0 6889.00 0.88 7052.59 o 2 2 0 7281.21 0.44 7052.59 o 2 2 0 7126.74 0.53 7052.59 o 2 2 0 7496.10 0.55 7052.59 o 2 2 0 7054.32 1.08 7052.59 o 2 2 0 7104.80 0.86 7052.59 o 2 2 0 7213.10 0.34 7052.59 o 2 2 0 7108.18 0.48 7052.59 o 3 2 0 7883.66 0.59 8540.51 o 3 2 0 8282.82 1.39 8540.51 o 3 2 0 8341.17 0.72 8540.51 o 3 2 0 8163.12 1.04 8540.51 o 3 2 0 8103.60 1.10 8540.51 o 3 2 0 8504.53 0.50 8540.51 o 3 2 0 8462.16 0.55 8540.51 o 3 2 0 8515.60 0.61 8540.51 o 4 2 0 956.66 2.86 1018.80 o 4 2 0 997.30 2.40 1018.80 o 4 2 0 960.38 0.92 1018.80 o 4 2 0 823.12 1.88 1018.80 o 4 2 0 972.82 0.92 1018.80 o 4 2 0 1135.69 2.37 1018.80 o 4 2 0 1215.22 1.14 1018.80 o 4 2 0 906.61 1.93 1018.80 o 5 2 0 267.65 2.86 149.27 o 5 2 0 153.51 3.80 149.27 o 5 2 0 189.61 2.53 149.27 o 5 2 0 260.50 2.69 149.27 o 5 2 0 330.51 2.92 149.27 o 5 2 0 324.36 4.71 149.27 o 5 2 0 421.48 3.80 149.27 o 6 2 0 29597.76 2.86 30592.38 o 6 2 0 30307.33 1.44 30592.38 o 6 2 0 29364.25 1.54 30592.38 o 6 2 0 29206.81 1.80 30592.38 o 6 2 0 29974.00 2.56 30592.38 o 7 2 0 8667.61 1.06 8751.54 o 7 2 0 8230.12 2.19 8751.54 o 7 2 0 8339.34 1.28 8751.54 o 7 2 0 8390.56 0.76 8751.54 o 8 2 0 64999.50 5.24 65613.04 o 8 2 0 64110.24 3.20 65613.04 o 8 2 0 64933.23 5.52 65613.04 o 8 2 0 64140.63 2.34 65613.04 o 10 2 0 8652.72 3.65 8621.10 o 10 2 0 8353.96 2.72 8621.10 o 10 2 0 8193.87 1.99 8621.10 o 10 2 0 8497.15 1.72 8621.10 o 11 2 0 4222.40 2.40 4003.90 o 11 2 0 4451.56 1.88 4003.90 o 11 2 0 3397.72 4.20 4003.90 o 11 2 0 4186.09 4.00 4003.90 o 13 2 0 965.97 4.20 970.30 o 13 2 0 919.91 3.88 970.30 o 13 2 0 1186.80 9.00 970.30 o 13 2 0 965.97 6.10 970.30 o 14 2 0 365.57 8.58 109.92 o 15 2 0 1910.56 9.18 1619.80 o 15 2 0 1878.36 9.12 1619.80 o 15 2 0 1190.94 4.00 1619.80 o 15 2 0 1626.51 5.43 1619.80 o 18 2 0 653.31 18.40 508.53 o 18 2 0 718.78 10.24 508.53 o 19 2 0 1388.31 11.02 1982.12 o 19 2 0 2893.36 11.49 1982.12 o 1 3 0 1918.44 0.50 1941.36 o 1 3 0 1867.10 0.48 1941.36 o 1 3 0 1714.79 0.56 1941.36 o 1 3 0 1822.44 0.55 1941.36 o 1 3 0 1837.84 0.50 1941.36 o 1 3 0 1790.98 0.48 1941.36 o 1 3 0 1745.57 0.55 1941.36 o 1 3 0 1798.61 0.67 1941.36 o 2 3 0 3867.60 0.81 3914.25 o 2 3 0 4266.70 0.67 3914.25 o 2 3 0 4126.78 0.53 3914.25 o 2 3 0 3905.00 0.62 3914.25 o 2 3 0 4270.62 0.74 3914.25 o 2 3 0 4111.37 0.59 3914.25 o 2 3 0 4189.97 0.69 3914.25 o 2 3 0 4204.23 0.40 3914.25 o 3 3 0 14213.41 1.51 13907.11 o 3 3 0 13775.72 1.42 13907.11 o 3 3 0 13642.24 1.49 13907.11 o 3 3 0 14258.75 1.59 13907.11 o 3 3 0 14244.42 1.21 13907.11 o 3 3 0 14402.40 0.86 13907.11 o 3 3 0 14139.59 1.49 13907.11 o 3 3 0 14280.25 0.52 13907.11 o 4 3 0 363.28 5.48 147.43 o 4 3 0 206.50 3.65 147.43 o 5 3 0 612.56 3.03 567.58 o 5 3 0 545.22 2.10 567.58 o 5 3 0 494.62 3.35 567.58 o 5 3 0 501.76 3.31 567.58 o 5 3 0 668.22 5.76 567.58 o 5 3 0 556.96 1.54 567.58 o 5 3 0 596.82 1.72 567.58 o 5 3 0 680.17 3.20 567.58 o 6 3 0 9647.17 0.83 9585.57 o 6 3 0 10102.26 1.21 9585.57 o 6 3 0 9206.40 0.83 9585.57 o 6 3 0 9169.98 1.49 9585.57 o 6 3 0 9635.39 2.04 9585.57 o 6 3 0 9302.60 1.08 9585.57 o 7 3 0 282.58 5.52 189.92 o 7 3 0 193.21 3.10 189.92 o 7 3 0 371.72 7.73 189.92 o 7 3 0 219.63 4.20 189.92 o 8 3 0 22452.03 1.90 22603.67 o 8 3 0 23082.72 2.31 22603.67 o 8 3 0 23028.06 1.44 22603.67 o 8 3 0 22389.14 2.40 22603.67 o 8 3 0 22046.31 2.22 22603.67 o 9 3 0 29254.68 2.28 30777.91 o 9 3 0 30262.08 1.44 30777.91 o 9 3 0 29949.76 1.19 30777.91 o 9 3 0 30029.42 2.25 30777.91 o 10 3 0 14529.89 2.72 13960.69 o 10 3 0 13500.12 1.42 13960.69 o 10 3 0 13912.20 2.82 13960.69 o 11 3 0 8033.54 2.07 7776.54 o 11 3 0 7768.66 3.03 7776.54 o 11 3 0 8301.03 3.88 7776.54 o 11 3 0 8141.45 1.90 7776.54 o 12 3 0 275.56 7.13 173.94 o 12 3 0 612.07 8.29 173.94 o 12 3 0 242.42 5.62 173.94 o 15 3 0 461.39 7.90 690.45 o 15 3 0 975.94 5.48 690.45 o 15 3 0 1156.00 12.25 690.45 o 15 3 0 736.04 10.76 690.45 o 16 3 0 1304.65 4.33 1358.76 o 16 3 0 1310.44 6.50 1358.76 o 16 3 0 1911.44 9.80 1358.76 o 16 3 0 903.60 11.76 1358.76 o 17 3 0 9254.44 6.76 8781.05 o 17 3 0 8333.86 3.53 8781.05 o 17 3 0 8222.86 5.86 8781.05 o 19 3 0 842.16 14.21 1049.62 o 19 3 0 763.42 18.84 1049.62 o 0 4 0 25574.41 2.28 23954.00 o 0 4 0 25956.43 2.22 23954.00 o 0 4 0 25090.56 0.76 23954.00 o 0 4 0 25523.26 3.17 23954.00 o 1 4 0 749.66 1.04 666.80 o 1 4 0 712.36 1.02 666.80 o 1 4 0 730.08 0.94 666.80 o 1 4 0 755.70 1.28 666.80 o 1 4 0 823.12 1.02 666.80 o 1 4 0 776.74 0.85 666.80 o 1 4 0 787.92 1.12 666.80 o 2 4 0 48250.52 5.81 48040.73 o 2 4 0 48907.32 1.90 48040.73 o 2 4 0 48858.68 1.28 48040.73 o 2 4 0 48876.37 2.02 48040.73 o 2 4 0 48549.72 1.72 48040.73 o 2 4 0 49368.40 2.19 48040.73 o 2 4 0 47851.56 1.88 48040.73 o 2 4 0 48426.40 1.25 48040.73 o 3 4 0 21427.10 1.14 22376.77 o 3 4 0 22245.72 1.17 22376.77 o 3 4 0 21912.88 1.06 22376.77 o 3 4 0 21936.57 2.04 22376.77 o 3 4 0 22341.28 1.93 22376.77 o 3 4 0 21738.55 2.02 22376.77 o 3 4 0 21983.99 1.90 22376.77 o 4 4 0 855.56 2.16 834.42 o 4 4 0 1118.23 2.02 834.42 o 4 4 0 1001.72 1.54 834.42 o 4 4 0 1076.50 2.76 834.42 o 4 4 0 870.84 1.35 834.42 o 4 4 0 701.72 2.50 834.42 o 4 4 0 823.69 3.61 834.42 o 4 4 0 787.36 1.56 834.42 o 5 4 0 6392.00 1.35 6235.91 o 5 4 0 6340.94 1.00 6235.91 o 5 4 0 6867.44 1.32 6235.91 o 5 4 0 6110.55 1.28 6235.91 o 5 4 0 6325.02 1.35 6235.91 o 5 4 0 6480.25 0.72 6235.91 o 5 4 0 6187.40 1.19 6235.91 o 6 4 0 2700.88 1.14 2622.45 o 6 4 0 2386.32 2.59 2622.45 o 6 4 0 2491.01 1.90 2622.45 o 6 4 0 2587.76 1.10 2622.45 o 6 4 0 2400.02 1.42 2622.45 o 6 4 0 2636.82 1.85 2622.45 o 7 4 0 64892.47 1.90 63765.91 o 7 4 0 64292.67 5.66 63765.91 o 7 4 0 64125.43 2.25 63765.91 o 7 4 0 64943.43 4.67 63765.91 o 8 4 0 11918.09 1.61 12550.18 o 8 4 0 11698.59 1.30 12550.18 o 8 4 0 12069.22 1.77 12550.18 o 8 4 0 12378.79 1.56 12550.18 o 8 4 0 11911.54 2.72 12550.18 o 9 4 0 30248.17 3.28 30537.27 o 9 4 0 29918.62 1.82 30537.27 o 9 4 0 30244.69 4.00 30537.27 o 9 4 0 29456.86 3.06 30537.27 o 10 4 0 10440.75 2.86 9699.48 o 10 4 0 10082.17 2.25 9699.48 o 10 4 0 9878.37 2.56 9699.48 o 10 4 0 10294.13 1.30 9699.48 o 11 4 0 361.76 6.35 101.49 o 12 4 0 1510.10 7.08 1600.07 o 12 4 0 1614.43 2.69 1600.07 o 12 4 0 1388.31 6.97 1600.07 o 12 4 0 1702.39 4.24 1600.07 o 13 4 0 999.82 4.97 1071.38 o 13 4 0 1135.69 9.61 1071.38 o 13 4 0 1056.25 8.58 1071.38 o 13 4 0 1089.66 3.24 1071.38 o 14 4 0 649.74 10.76 736.24 o 14 4 0 676.52 4.33 736.24 o 14 4 0 1318.42 9.67 736.24 o 14 4 0 677.56 7.02 736.24 o 15 4 0 443.52 8.47 755.52 o 15 4 0 838.68 11.29 755.52 o 15 4 0 676.52 5.29 755.52 o 15 4 0 1104.90 13.54 755.52 o 16 4 0 723.61 18.15 1073.03 o 16 4 0 1101.58 11.70 1073.03 o 16 4 0 1418.28 6.60 1073.03 o 19 4 0 4794.18 10.11 3502.10 o 19 4 0 3517.68 11.36 3502.10 o 1 5 0 36343.61 1.42 35757.97 o 1 5 0 36046.82 1.49 35757.97 o 1 5 0 35789.07 3.06 35757.97 o 1 5 0 35993.68 1.54 35757.97 o 1 5 0 35231.29 0.58 35757.97 o 1 5 0 36244.54 1.42 35757.97 o 1 5 0 35792.86 1.42 35757.97 o 2 5 0 52817.23 2.25 50713.35 o 2 5 0 52982.83 2.19 50713.35 o 2 5 0 51993.12 6.20 50713.35 o 2 5 0 51988.56 3.76 50713.35 o 2 5 0 52674.84 4.20 50713.35 o 2 5 0 51956.64 4.28 50713.35 o 2 5 0 53139.47 1.88 50713.35 o 2 5 0 52459.32 2.19 50713.35 o 3 5 0 27529.45 2.34 26951.97 o 3 5 0 27522.81 1.30 26951.97 o 3 5 0 27592.53 1.30 26951.97 o 3 5 0 26827.16 1.23 26951.97 o 3 5 0 26758.42 3.57 26951.97 o 3 5 0 26487.56 1.39 26951.97 o 3 5 0 26360.77 1.21 26951.97 o 3 5 0 26781.32 1.25 26951.97 o 4 5 0 3967.74 1.08 4027.07 o 4 5 0 4139.64 1.21 4027.07 o 4 5 0 4020.83 1.06 4027.07 o 4 5 0 4157.67 1.08 4027.07 o 4 5 0 3982.87 1.35 4027.07 o 4 5 0 4403.65 1.51 4027.07 o 4 5 0 4236.71 1.12 4027.07 o 4 5 0 4165.41 1.42 4027.07 o 5 5 0 338.93 2.43 238.37 o 5 5 0 442.26 2.56 238.37 o 5 5 0 333.43 2.62 238.37 o 5 5 0 394.42 4.58 238.37 o 5 5 0 308.35 4.12 238.37 o 5 5 0 389.27 5.71 238.37 o 5 5 0 209.96 4.93 238.37 o 6 5 0 433.06 2.28 428.11 o 6 5 0 265.69 2.53 428.11 o 6 5 0 502.66 5.34 428.11 o 6 5 0 387.70 5.76 428.11 o 6 5 0 358.34 4.12 428.11 o 7 5 0 9434.24 1.14 8760.98 o 7 5 0 9420.64 2.59 8760.98 o 7 5 0 9164.23 1.93 8760.98 o 7 5 0 9533.57 1.46 8760.98 o 7 5 0 9926.14 1.59 8760.98 o 8 5 0 1316.24 2.62 1789.45 o 8 5 0 1734.72 1.64 1789.45 o 8 5 0 1923.70 4.58 1789.45 o 8 5 0 1653.24 4.28 1789.45 o 8 5 0 1703.21 2.22 1789.45 o 9 5 0 23571.46 4.37 23640.85 o 9 5 0 25526.45 2.22 23640.85 o 9 5 0 24435.94 1.90 23640.85 o 9 5 0 24831.46 1.39 23640.85 o 10 5 0 3438.65 2.04 3350.81 o 10 5 0 2923.56 4.54 3350.81 o 10 5 0 3059.20 4.20 3350.81 o 10 5 0 3986.66 1.64 3350.81 o 11 5 0 3104.72 4.71 2989.61 o 11 5 0 3289.02 4.33 2989.61 o 11 5 0 3064.73 1.96 2989.61 o 11 5 0 2815.36 3.39 2989.61 o 12 5 0 433.47 12.04 292.32 o 13 5 0 318.62 6.05 326.00 o 14 5 0 844.48 10.11 346.34 o 14 5 0 622.00 4.75 346.34 o 15 5 0 1694.97 3.88 2217.18 o 15 5 0 2361.96 7.51 2217.18 o 15 5 0 2242.02 5.24 2217.18 o 15 5 0 2280.06 8.64 2217.18 o 17 5 0 13110.25 3.42 12323.80 o 17 5 0 13672.62 5.76 12323.80 o 17 5 0 13402.69 4.84 12323.80 o 19 5 0 1775.78 11.63 1900.46 o 19 5 0 1423.55 14.67 1900.46 o 0 6 0 38498.36 1.56 37534.32 o 0 6 0 38840.53 1.85 37534.32 o 0 6 0 38588.67 1.49 37534.32 o 0 6 0 38525.84 3.24 37534.32 o 1 6 0 125301.84 9.42 119981.88 o 2 6 0 941.88 1.85 811.63 o 2 6 0 970.95 1.88 811.63 o 2 6 0 904.81 1.93 811.63 o 2 6 0 1047.17 2.10 811.63 o 2 6 0 753.50 2.72 811.63 o 2 6 0 1067.98 1.88 811.63 o 2 6 0 967.83 1.59 811.63 o 2 6 0 860.84 1.69 811.63 o 3 6 0 41237.42 3.72 43313.05 o 3 6 0 41718.06 2.19 43313.05 o 3 6 0 41820.25 0.72 43313.05 o 3 6 0 42263.14 1.72 43313.05 o 3 6 0 40880.80 1.77 43313.05 o 3 6 0 41632.32 1.23 43313.05 o 3 6 0 41196.82 1.64 43313.05 o 3 6 0 41448.89 2.10 43313.05 o 4 6 0 265.36 7.62 14.84 o 4 6 0 484.88 8.76 14.84 o 5 6 0 382.59 2.86 267.85 o 5 6 0 199.94 2.72 267.85 o 6 6 0 500.86 5.29 402.16 o 6 6 0 601.23 4.71 402.16 o 6 6 0 670.81 6.81 402.16 o 6 6 0 337.46 2.56 402.16 o 6 6 0 335.26 2.92 402.16 o 7 6 0 302.06 3.13 271.99 o 7 6 0 370.18 5.24 271.99 o 7 6 0 317.20 3.35 271.99 o 8 6 0 1767.36 2.96 1726.54 o 8 6 0 1784.22 1.77 1726.54 o 8 6 0 2281.02 3.61 1726.54 o 8 6 0 1692.50 4.67 1726.54 o 8 6 0 1662.19 1.82 1726.54 o 9 6 0 483.56 7.73 350.11 o 9 6 0 303.80 5.24 350.11 o 9 6 0 392.44 10.50 350.11 o 9 6 0 340.03 8.94 350.11 o 10 6 0 2097.64 5.81 2161.72 o 10 6 0 1931.60 2.10 2161.72 o 10 6 0 2093.98 4.62 2161.72 o 10 6 0 2624.51 3.31 2161.72 o 11 6 0 6179.53 2.79 6277.80 o 11 6 0 6570.72 2.89 6277.80 o 11 6 0 6559.38 1.44 6277.80 o 11 6 0 6552.90 4.04 6277.80 o 12 6 0 3634.88 1.72 3565.81 o 12 6 0 3483.36 6.25 3565.81 o 12 6 0 3762.60 3.42 3565.81 o 12 6 0 3650.58 4.49 3565.81 o 13 6 0 4692.25 5.11 4657.26 o 13 6 0 4637.61 1.80 4657.26 o 13 6 0 5117.97 5.24 4657.26 o 13 6 0 5205.62 3.17 4657.26 o 14 6 0 1260.96 8.18 1457.15 o 14 6 0 1590.41 3.39 1457.15 o 14 6 0 1745.57 7.02 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