#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/26/2202601.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_2202601_Fobs loop_ _publ_author_name 'Sakai, Ken' 'Akiyama, Norinobu' 'Mizota, Mina' 'Yokokawa, Kazuo' 'Yokoyama, Yoshimi' _publ_section_title ; Bis(guanidinium) bis(oxalato)platinate(II) ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m408 _journal_page_last m410 _journal_volume 59 _journal_year 2003 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 94.686 _cell_angle_gamma 90.000 _cell_length_a 3.5876 _cell_length_b 14.6841 _cell_length_c 12.2366 _exptl_crystal_F_000 524.00 _reflns_d_resolution_high 0.9001 _[local]_cod_data_source_file dn6075Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' nori41 in P2(1)/c 2003/05/27 11:31:18 054 KENX' _shelx_refln_list_code 4 _shelx_f_calc_maximum 213.14 _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, -z' 'x, -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 1 0 0 19683.33 21427.11 1052.19 o 2 0 0 12260.49 11952.84 540.69 o 3 0 0 3709.38 3826.79 150.63 o 1 1 0 8.93 1.00 7.88 o 2 1 0 482.05 464.61 22.65 o 3 1 0 14.55 -6.50 18.72 o 0 2 0 26344.21 26988.19 824.66 o 1 2 0 39477.79 40671.76 1055.22 o 2 2 0 4157.15 4158.15 119.14 o 3 2 0 3177.92 3111.98 142.47 o 1 3 0 1163.95 1253.02 24.58 o 2 3 0 361.53 360.07 18.30 o 3 3 0 10.88 15.80 21.56 o 0 4 0 16572.71 15793.70 342.85 o 1 4 0 4237.27 4051.81 88.41 o 2 4 0 5757.93 5897.28 137.19 o 3 4 0 2056.16 2060.36 125.06 o 1 5 0 934.65 927.10 25.39 o 2 5 0 123.65 133.17 13.70 o 3 5 0 17.07 2.73 19.34 o 0 6 0 4382.47 3966.68 191.06 o 1 6 0 10493.58 10503.19 93.27 o 2 6 0 5798.87 5809.29 138.12 o 3 6 0 2332.96 2378.05 91.44 o 1 7 0 621.18 659.21 25.47 o 2 7 0 179.79 173.89 21.48 o 3 7 0 57.57 66.72 25.95 o 0 8 0 11513.74 11433.15 801.21 o 1 8 0 9247.28 9150.15 118.58 o 2 8 0 5410.55 5223.25 107.05 o 3 8 0 2765.16 2811.48 106.84 o 1 9 0 0.66 5.69 11.53 o 2 9 0 45.60 39.03 18.53 o 3 9 0 25.11 60.39 28.38 o 0 10 0 8832.87 8955.81 219.79 o 1 10 0 6049.17 5897.05 117.13 o 2 10 0 4441.17 4254.69 128.94 o 3 10 0 1562.45 1729.97 91.80 o 1 11 0 0.04 12.85 19.05 o 2 11 0 0.89 14.80 20.10 o 0 12 0 4949.03 4889.52 179.90 o 1 12 0 5291.08 5223.88 156.28 o 2 12 0 2883.36 2811.48 125.91 o 1 13 0 20.72 19.50 21.32 o 2 13 0 73.61 64.23 31.92 o 0 14 0 3137.12 3196.07 160.64 o 1 14 0 3810.29 3736.66 174.11 o 2 14 0 2282.77 2276.40 188.83 o 1 15 0 31.85 36.26 26.28 o 0 16 0 2274.42 2413.65 153.71 o -3 1 1 2994.79 2904.18 103.12 o 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6 1 5.48 17.66 23.20 o -2 6 1 34.82 45.13 12.07 o -1 6 1 0.14 2.93 9.20 o 0 6 1 4587.95 4645.45 74.82 o 1 6 1 741.77 751.86 22.66 o 2 6 1 4.84 15.26 13.52 o 3 6 1 0.21 16.09 23.75 o -3 7 1 2528.90 2528.99 105.04 o -2 7 1 6133.14 6238.79 99.78 o -1 7 1 6648.20 6392.52 78.51 o 0 7 1 11328.91 11127.65 169.49 o 1 7 1 5148.56 5230.54 87.41 o 2 7 1 6386.43 6210.65 257.92 o 3 7 1 2201.60 2329.28 96.60 o -3 8 1 2.58 16.26 22.66 o -2 8 1 167.78 182.56 23.17 o -1 8 1 15.91 24.38 12.20 o 0 8 1 282.98 270.12 24.54 o 1 8 1 602.86 645.04 36.81 o 2 8 1 5.93 31.69 17.36 o 3 8 1 4.95 15.77 24.60 o -3 9 1 1956.29 1857.36 95.53 o -2 9 1 5353.29 5124.87 132.72 o -1 9 1 10931.98 10792.09 168.22 o 0 9 1 7000.92 6945.27 129.52 o 1 9 1 7238.61 6551.06 554.26 o 2 9 1 3767.85 3659.69 91.42 o 3 9 1 1866.61 1957.40 95.70 o -3 10 1 30.14 37.51 21.29 o -2 10 1 7.67 30.71 24.73 o -1 10 1 188.43 182.20 19.68 o 0 10 1 22.90 28.60 20.15 o 1 10 1 0.32 5.65 17.66 o 2 10 1 0.38 6.11 19.31 o 3 10 1 22.24 31.62 28.29 o -2 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139.74 7.52 o 1 1 2 790.97 756.08 24.23 o 2 1 2 560.89 562.41 33.38 o 3 1 2 17.92 29.01 13.29 o -3 2 2 3025.51 2977.10 97.29 o -2 2 2 9261.65 9241.37 259.84 o -1 2 2 14847.26 14784.49 144.77 o 0 2 2 5232.63 5371.11 50.19 o 1 2 2 23457.09 23836.30 663.33 o 2 2 2 6784.69 6861.21 271.17 o 3 2 2 4574.08 4362.95 143.97 o -3 3 2 0.39 -6.13 20.34 o -2 3 2 1.25 -1.52 9.84 o -1 3 2 789.01 817.21 18.36 o 0 3 2 87.95 101.42 7.72 o 1 3 2 127.97 130.56 8.13 o 2 3 2 25.32 29.49 8.85 o 3 3 2 194.69 176.27 24.71 o -3 4 2 3864.71 3736.51 91.57 o -2 4 2 8588.95 8426.80 96.59 o -1 4 2 17428.35 17262.74 313.34 o 0 4 2 17118.77 17210.88 159.91 o 1 4 2 13554.24 13589.22 176.05 o 2 4 2 15366.10 15451.92 299.89 o 3 4 2 3255.45 3377.95 108.22 o -3 5 2 47.85 33.90 21.37 o -2 5 2 32.32 33.22 12.06 o -1 5 2 373.77 338.52 17.19 o 0 5 2 13.27 15.62 9.35 o 1 5 2 367.54 341.04 22.99 o 2 5 2 0.90 2.35 10.50 o 3 5 2 25.01 29.14 23.79 o -3 6 2 2452.05 2318.13 97.36 o -2 6 2 8502.06 8334.75 137.32 o -1 6 2 10625.24 10615.33 96.88 o 0 6 2 8311.83 7971.25 151.57 o 1 6 2 12648.12 12837.66 184.44 o 2 6 2 5694.50 5702.15 134.75 o 3 6 2 2979.05 3149.12 150.94 o -3 7 2 35.19 48.82 24.59 o -2 7 2 29.71 20.79 14.98 o -1 7 2 221.90 228.40 17.40 o 0 7 2 0.14 -2.69 11.13 o 1 7 2 682.74 673.68 35.10 o 2 7 2 179.00 213.31 24.81 o 3 7 2 2.07 20.66 26.21 o -3 8 2 3380.93 3236.62 161.80 o -2 8 2 4535.22 4010.88 459.75 o -1 8 2 9398.90 9636.89 111.42 o 0 8 2 9909.22 9699.20 163.66 o 1 8 2 5002.29 4865.90 94.88 o 2 8 2 3213.51 3297.92 84.93 o 3 8 2 1943.43 1966.81 94.58 o -3 9 2 9.93 2.42 23.25 o -2 9 2 25.47 18.80 22.21 o -1 9 2 64.68 72.85 15.28 o 0 9 2 192.88 197.16 20.33 o 1 9 2 73.93 92.48 21.10 o 2 9 2 218.84 227.38 29.04 o 3 9 2 0.40 -25.50 25.50 o -3 10 2 2195.70 2273.96 108.26 o -2 10 2 4864.80 4936.92 235.19 o -1 10 2 5959.19 5839.98 90.96 o 0 10 2 10336.38 10479.99 245.20 o 1 10 2 4944.20 4778.42 104.93 o 2 10 2 2581.50 2577.53 82.41 o 3 10 2 1551.17 1696.49 94.76 o -2 11 2 9.50 15.44 23.61 o -1 11 2 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3 4 839.49 874.88 22.82 o 0 3 4 4.39 11.84 7.21 o 1 3 4 510.90 501.75 23.52 o 2 3 4 141.73 163.84 20.54 o 3 3 4 39.77 47.53 23.37 o -3 4 4 2616.12 2580.04 96.90 o -2 4 4 5162.62 5020.68 177.47 o -1 4 4 15612.14 15733.20 298.86 o 0 4 4 10393.40 10200.95 174.46 o 1 4 4 13095.87 13243.61 207.53 o 2 4 4 5332.17 5349.81 98.73 o 3 4 4 1270.11 1337.96 50.80 o -3 5 4 35.83 44.37 20.47 o -2 5 4 21.12 19.60 12.24 o -1 5 4 0.57 1.67 7.87 o 0 5 4 985.20 1074.87 24.03 o 1 5 4 23.09 20.52 10.29 o 2 5 4 102.07 100.15 17.05 o 3 5 4 69.94 58.91 19.11 o -3 6 4 1258.78 1347.25 60.43 o -2 6 4 7176.90 7095.81 96.18 o -1 6 4 10168.68 10186.14 114.30 o 0 6 4 19309.14 19474.56 295.14 o 1 6 4 12923.39 13157.99 162.31 o 2 6 4 4437.72 4366.35 93.44 o 3 6 4 1752.67 1841.27 61.67 o -3 7 4 0.16 12.08 20.93 o -2 7 4 4.05 8.32 12.77 o -1 7 4 375.59 364.75 19.41 o 0 7 4 0.02 10.23 9.51 o 1 7 4 27.69 8.25 14.64 o 2 7 4 71.85 73.71 18.65 o 3 7 4 5.25 4.39 26.65 o -3 8 4 2163.36 2137.44 99.20 o -2 8 4 3005.63 2941.40 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