data_3500005 loop_ _publ_author_name 'Mohammad Abul Haj' 'Miguel Quir\'os' 'Juan M. Salas' _publ_contact_author_address ; Departamento de Qu\'imica Inorg\'anica Facultad de Ciencias Universidad de Granada 18071 Granada SPAIN ; _publ_contact_author_email mquiros@ugr.es _publ_contact_author_fax 34-58-248526 _publ_contact_author_name 'Miguel Quir\'os' _publ_contact_author_phone 34-58-240441 _cell_angle_alpha 90.000 _cell_angle_beta 102.083 _cell_angle_gamma 90.000 _cell_length_a 26.1300 _cell_length_b 16.6176 _cell_length_c 9.5517 _exptl_crystal_F_000 1828.00 _reflns_d_resolution_high 0.7103 _cod_data_source_file ptpdfen.fcf _cod_data_source_block ptpdfen #BEGIN Tags that were not found in dictionaries: _shelx_title ' Pt(NH3)2Pd(C12N2H8)(C5N4H3O)2(NO3)5/4(NO2)3/4(H2O)5/2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 786.59 _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' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' '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 493073.06 431036.03 4439.04 o 4 0 0 104271.96 99381.39 1132.86 o 6 0 0 46080.16 69980.34 948.71 o 8 0 0 47852.91 31394.45 522.38 o 10 0 0 73688.29 79411.38 1129.49 o 12 0 0 58515.52 64011.79 976.84 o 14 0 0 22035.80 18613.75 399.29 o 16 0 0 6260.54 6148.31 230.85 o 18 0 0 4265.77 3721.41 195.46 o 20 0 0 8087.39 5933.27 253.78 o 22 0 0 7712.33 6163.22 274.27 o 24 0 0 1328.93 1415.14 214.65 o 26 0 0 63.85 -1.76 150.10 o 28 0 0 566.82 161.25 171.22 o 30 0 0 468.30 89.71 185.87 o 32 0 0 546.90 442.70 216.37 o 34 0 0 107.01 -134.85 210.49 o 3 1 0 4317.57 11768.76 171.04 o 5 1 0 18965.73 13623.71 211.04 o 7 1 0 32358.65 42915.79 551.88 o 9 1 0 4775.90 4405.13 141.06 o 11 1 0 470.66 676.14 107.32 o 13 1 0 32.98 384.62 93.81 o 15 1 0 2002.28 1337.03 152.54 o 17 1 0 9678.31 8017.73 249.27 o 19 1 0 11109.81 9366.67 290.45 o 21 1 0 2473.80 2116.01 212.95 o 23 1 0 98.46 255.05 136.03 o 25 1 0 178.35 284.95 131.92 o 27 1 0 855.19 567.63 191.75 o 29 1 0 545.98 63.33 184.12 o 31 1 0 409.13 -165.35 188.80 o 33 1 0 19.57 435.63 189.38 o 35 1 0 1.89 223.38 184.10 o 0 2 0 282932.56 331845.88 1292.90 o 2 2 0 86172.00 88971.05 744.44 o 4 2 0 10896.93 10301.66 155.15 o 6 2 0 8612.43 10747.87 188.74 o 8 2 0 92127.21 101715.98 1037.76 o 10 2 0 70897.84 74928.80 1031.04 o 12 2 0 65139.38 66282.45 974.94 o 14 2 0 14365.73 11632.18 293.96 o 16 2 0 4048.64 3743.30 174.93 o 18 2 0 6066.95 4894.66 225.50 o 20 2 0 12189.29 10164.45 323.41 o 22 2 0 8365.38 7736.45 312.49 o 24 2 0 1823.63 1405.90 191.79 o 26 2 0 32.84 301.36 143.06 o 28 2 0 111.39 440.91 178.24 o 30 2 0 276.98 645.55 202.87 o 32 2 0 524.70 296.11 202.29 o 34 2 0 119.07 -107.88 177.65 o 1 3 0 3781.22 6819.45 126.53 o 3 3 0 25769.77 21267.71 298.30 o 5 3 0 412.06 294.41 53.37 o 7 3 0 45808.64 53120.58 607.15 o 9 3 0 14275.72 18800.31 309.85 o 11 3 0 3336.85 2867.29 133.27 o 13 3 0 7652.45 8834.74 240.43 o 15 3 0 33.94 36.35 92.64 o 17 3 0 4186.32 3132.68 170.81 o 19 3 0 6048.80 5675.70 235.46 o 21 3 0 1321.77 1497.29 201.75 o 23 3 0 108.74 345.34 137.78 o 25 3 0 94.13 -19.35 121.37 o 27 3 0 840.63 203.48 184.71 o 29 3 0 1225.92 1334.71 254.51 o 31 3 0 519.08 187.63 211.09 o 33 3 0 16.40 205.79 172.37 o 35 3 0 1.75 0.00 211.07 o 0 4 0 103233.49 85910.23 689.26 o 2 4 0 47707.85 67053.28 603.76 o 4 4 0 10387.23 5302.74 149.31 o 6 4 0 16538.00 21661.04 320.63 o 8 4 0 36794.95 39457.18 550.36 o 10 4 0 62756.17 77686.66 976.48 o 12 4 0 54429.01 65758.29 921.81 o 14 4 0 1264.25 1225.27 138.42 o 16 4 0 1027.99 1196.99 155.42 o 18 4 0 4038.15 3821.93 203.07 o 20 4 0 10660.66 8772.27 316.21 o 22 4 0 7999.37 6870.38 294.24 o 24 4 0 2462.71 2026.68 243.44 o 26 4 0 149.02 343.00 148.93 o 28 4 0 44.15 306.05 169.44 o 30 4 0 383.83 629.73 195.84 o 32 4 0 469.75 545.30 210.50 o 34 4 0 115.26 -191.14 191.14 o 1 5 0 6993.23 10101.05 198.42 o 3 5 0 27.26 975.04 106.12 o 5 5 0 9007.83 7553.95 192.01 o 7 5 0 10630.29 11181.47 229.17 o 9 5 0 18783.88 30062.68 491.45 o 11 5 0 700.73 616.36 134.88 o 13 5 0 3918.03 6162.04 231.88 o 15 5 0 1642.78 1652.39 189.46 o 17 5 0 7506.54 8651.24 289.02 o 19 5 0 9905.03 9850.10 309.12 o 21 5 0 2850.95 2698.69 183.04 o 23 5 0 227.60 -123.13 123.13 o 25 5 0 56.28 208.73 132.51 o 27 5 0 657.55 853.17 205.23 o 29 5 0 1246.99 868.50 245.13 o 31 5 0 401.79 501.91 210.50 o 33 5 0 28.35 0.00 165.34 o 35 5 0 1.49 -170.03 201.10 o 0 6 0 114475.52 105134.12 973.26 o 2 6 0 44262.71 43679.90 626.63 o 4 6 0 5365.77 4666.93 161.05 o 6 6 0 3141.75 2970.10 134.44 o 8 6 0 15024.92 21595.52 419.87 o 10 6 0 57031.84 93960.81 1268.03 o 12 6 0 43686.03 63164.98 922.96 o 14 6 0 8608.21 14704.78 383.21 o 16 6 0 1995.03 2775.84 181.85 o 18 6 0 2238.18 1645.47 202.38 o 20 6 0 6347.83 6259.40 270.67 o 22 6 0 4655.29 4076.39 236.51 o 24 6 0 1143.88 1021.57 214.05 o 26 6 0 77.93 297.26 148.92 o 28 6 0 71.03 0.00 151.85 o 30 6 0 529.08 163.01 185.87 o 32 6 0 406.23 560.54 214.02 o 34 6 0 69.24 111.40 194.66 o 1 7 0 30.59 95.57 77.39 o 3 7 0 3960.92 3100.86 139.77 o 5 7 0 1315.18 1974.53 121.43 o 7 7 0 20613.18 20713.20 404.66 o 9 7 0 12794.32 17676.31 401.00 o 11 7 0 468.27 1035.56 178.85 o 13 7 0 1518.07 2666.49 198.26 o 15 7 0 154.34 260.92 98.50 o 17 7 0 3109.90 3429.52 184.82 o 19 7 0 5138.26 5440.12 244.18 o 21 7 0 1049.99 797.55 187.07 o 23 7 0 18.73 -49.25 129.57 o 25 7 0 17.94 -17.00 111.98 o 27 7 0 316.73 755.79 203.46 o 29 7 0 887.55 828.57 228.11 o 31 7 0 216.45 449.13 212.25 o 33 7 0 4.50 -184.10 184.10 o 0 8 0 47283.64 41502.65 597.46 o 2 8 0 61366.16 56330.02 825.92 o 4 8 0 10763.72 10421.92 253.10 o 6 8 0 3486.99 2932.72 156.15 o 8 8 0 18635.17 22053.36 451.81 o 10 8 0 32047.97 45207.89 752.35 o 12 8 0 27345.53 46767.04 808.75 o 14 8 0 6767.59 6789.54 232.00 o 16 8 0 983.41 987.57 154.23 o 18 8 0 2865.60 2797.88 184.80 o 20 8 0 5431.80 5440.06 262.38 o 22 8 0 3616.39 2943.59 296.30 o 24 8 0 929.52 683.16 190.00 o 26 8 0 99.69 332.44 176.48 o 28 8 0 28.92 157.72 164.75 o 30 8 0 429.39 688.96 216.36 o 32 8 0 348.13 908.82 235.12 o 1 9 0 429.32 376.46 104.96 o 3 9 0 7931.16 7884.41 231.03 o 5 9 0 169.83 240.40 107.89 o 7 9 0 5320.67 4294.66 201.43 o 9 9 0 7159.49 7633.65 280.25 o 11 9 0 477.89 1196.80 198.78 o 13 9 0 1202.50 1226.92 160.70 o 15 9 0 64.73 -96.16 113.16 o 17 9 0 2093.40 1872.36 210.00 o 19 9 0 2339.56 2321.73 246.37 o 21 9 0 611.09 566.44 182.95 o 23 9 0 27.24 0.00 153.03 o 25 9 0 17.06 407.48 167.10 o 27 9 0 223.82 -89.12 163.00 o 29 9 0 639.50 292.60 214.61 o 31 9 0 152.42 -25.80 195.24 o 33 9 0 5.50 56.87 155.96 o 0 10 0 73794.19 70290.13 983.29 o 2 10 0 44152.71 39516.29 600.75 o 4 10 0 10758.89 10702.25 290.57 o 6 10 0 6483.37 7139.91 249.06 o 8 10 0 13493.64 13484.08 376.63 o 10 10 0 30656.66 33397.67 630.01 o 12 10 0 20051.07 20101.01 451.34 o 14 10 0 6150.08 6403.43 264.80 o 16 10 0 1499.68 1660.38 194.72 o 18 10 0 2689.11 2086.65 237.00 o 20 10 0 4371.87 4233.83 244.11 o 22 10 0 2886.61 2740.70 275.71 o 24 10 0 624.73 909.46 196.43 o 26 10 0 21.44 66.84 160.06 o 28 10 0 13.73 -96.15 170.62 o 30 10 0 206.41 233.36 204.63 o 32 10 0 178.66 250.95 209.32 o 1 11 0 1741.46 1802.60 134.92 o 3 11 0 2280.79 2346.71 157.23 o 5 11 0 230.78 465.56 128.41 o 7 11 0 4190.52 4681.52 230.67 o 9 11 0 3878.60 4513.68 247.66 o 11 11 0 130.90 114.33 145.99 o 13 11 0 105.72 592.18 156.55 o 15 11 0 111.79 96.16 120.78 o 17 11 0 2432.48 1586.16 225.25 o 19 11 0 2793.18 2367.62 255.18 o 21 11 0 397.59 453.25 173.56 o 23 11 0 41.01 40.46 155.96 o 25 11 0 26.58 -151.85 151.85 o 27 11 0 116.51 0.00 170.62 o 29 11 0 285.37 306.65 197.01 o 31 11 0 93.72 -168.27 168.27 o 0 12 0 44398.06 42628.70 690.32 o 2 12 0 24594.70 23905.36 477.34 o 4 12 0 5947.00 6117.99 250.15 o 6 12 0 3791.41 4064.00 213.03 o 8 12 0 9686.71 10778.51 381.99 o 10 12 0 9747.52 11472.28 410.75 o 12 12 0 3753.27 4372.79 265.82 o 14 12 0 2083.00 1889.91 257.50 o 16 12 0 58.62 20.52 133.09 o 18 12 0 289.67 -147.76 147.76 o 20 12 0 1979.63 2071.59 252.79 o 22 12 0 1659.11 1869.10 259.22 o 24 12 0 262.90 109.06 182.94 o 26 12 0 6.09 286.12 195.24 o 28 12 0 9.32 357.06 173.55 o 30 12 0 69.78 0.00 236.28 o 1 13 0 1014.38 1243.86 179.45 o 3 13 0 2395.35 2060.87 215.30 o 5 13 0 89.06 -109.64 119.02 o 7 13 0 3144.69 3561.44 242.32 o 9 13 0 1289.16 1673.21 253.94 o 11 13 0 254.12 0.00 181.76 o 13 13 0 72.41 -176.48 176.48 o 15 13 0 14.08 479.60 168.86 o 17 13 0 1291.89 782.91 201.74 o 19 13 0 1652.13 1090.27 239.28 o 21 13 0 306.98 442.68 178.83 o 23 13 0 9.93 397.52 172.37 o 25 13 0 4.41 71.53 167.10 o 27 13 0 132.00 332.44 176.48 o 29 13 0 167.85 110.23 198.18 o 0 14 0 11690.58 11246.28 354.48 o 2 14 0 6255.94 6730.89 278.30 o 4 14 0 1196.33 1186.41 194.71 o 6 14 0 1643.39 1532.57 251.62 o 8 14 0 5248.55 6389.68 317.55 o 10 14 0 6505.72 7754.38 369.28 o 12 14 0 4785.23 5919.75 338.04 o 14 14 0 1559.06 2265.58 282.10 o 16 14 0 128.59 -178.83 178.83 o 18 14 0 565.58 435.67 222.23 o 20 14 0 1381.43 1915.33 272.70 o 22 14 0 1034.87 1107.14 249.22 o 24 14 0 140.10 -153.03 153.03 o 26 14 0 5.27 77.98 147.75 o 28 14 0 6.29 328.33 199.34 o 1 15 0 249.19 247.43 140.72 o 3 15 0 544.30 432.74 168.29 o 5 15 0 75.39 91.47 158.30 o 7 15 0 1219.39 1400.45 244.55 o 9 15 0 1099.12 898.42 235.16 o 11 15 0 65.43 -199.93 199.93 o 13 15 0 177.50 650.23 222.80 o 15 15 0 8.98 410.41 167.68 o 17 15 0 490.51 337.15 202.29 o 19 15 0 700.72 459.13 239.83 o 21 15 0 192.22 100.85 181.17 o 23 15 0 7.90 0.00 184.69 o 25 15 0 18.72 -170.03 170.03 o 27 15 0 60.77 -138.96 205.21 o 0 16 0 6076.93 6223.02 291.75 o 2 16 0 3883.21 4553.86 275.19 o 4 16 0 717.70 935.29 234.56 o 6 16 0 218.57 500.73 168.86 o 8 16 0 1109.34 1083.14 249.23 o 10 16 0 3182.81 4062.01 296.85 o 12 16 0 2572.25 3025.00 370.13 o 14 16 0 633.78 925.29 276.77 o 16 16 0 161.97 262.67 239.81 o 18 16 0 330.46 577.54 239.81 o 20 16 0 655.61 877.79 269.14 o 22 16 0 383.50 499.56 244.50 o 24 16 0 97.07 -180.00 180.00 o 26 16 0 26.28 256.80 185.27 o 1 17 0 55.97 416.87 173.55 o 3 17 0 329.08 185.28 173.56 o 5 17 0 7.06 352.96 157.72 o 7 17 0 425.76 474.94 232.78 o 9 17 0 383.62 1005.00 249.20 o 11 17 0 3.43 -126.06 206.97 o 13 17 0 145.46 177.65 210.49 o 15 17 0 2.56 31.07 209.31 o 17 17 0 249.19 499.55 262.09 o 19 17 0 319.46 251.54 257.99 o 21 17 0 54.09 185.86 222.80 o 23 17 0 3.20 30.49 192.31 o 0 18 0 2222.16 3519.84 361.90 o 2 18 0 1565.92 1584.06 303.79 o 4 18 0 419.13 805.64 242.75 o 6 18 0 272.47 400.47 235.71 o 8 18 0 1003.81 1787.96 299.65 o 10 18 0 1938.86 2874.45 356.59 o 12 18 0 1323.78 1602.15 323.71 o 14 18 0 242.11 385.80 247.43 o 16 18 0 35.52 896.47 249.18 o 18 18 0 100.94 -103.78 265.60 o 20 18 0 221.81 -170.03 251.53 o 22 18 0 164.54 33.42 250.94 o 1 19 0 40.91 422.14 205.79 o 3 19 0 98.32 53.94 187.03 o 5 19 0 19.21 335.37 187.03 o 7 19 0 386.47 203.46 264.44 o 9 19 0 436.32 178.25 237.47 o 11 19 0 46.58 63.32 233.94 o 13 19 0 21.52 -217.52 217.52 o 15 19 0 2.60 -195.83 195.83 o 17 19 0 80.31 144.23 256.22 o 19 19 0 83.62 111.40 292.57 o 0 20 0 1045.98 1215.04 290.86 o 2 20 0 671.05 546.50 284.39 o 4 20 0 237.63 669.00 256.23 o 6 20 0 192.00 150.10 234.53 o 8 20 0 476.43 1130.48 263.86 o 10 20 0 878.45 1289.47 309.61 o 12 20 0 526.51 757.57 358.26 o 14 20 0 80.22 -242.73 242.73 o 16 20 0 30.52 37.52 262.67 o 18 20 0 76.69 739.34 296.09 o 1 21 0 23.65 -30.49 202.28 o 3 21 0 77.86 62.15 226.90 o 5 21 0 5.52 407.48 235.11 o 7 21 0 60.23 -225.73 225.73 o 9 21 0 80.74 302.54 245.66 o 11 21 0 0.55 -224.55 224.55 o 13 21 0 21.01 368.20 261.49 o 15 21 0 0.91 113.74 223.38 o 0 22 0 455.20 1134.58 311.35 o 2 22 0 272.21 197.59 256.81 o 4 22 0 54.86 299.60 229.83 o 6 22 0 14.53 237.45 247.42 o 8 22 0 71.54 -229.25 229.25 o 10 22 0 191.51 -179.41 269.12 o 12 22 0 120.71 -151.27 279.67 o 1 23 0 11.06 35.18 235.11 o 3 23 0 24.76 140.71 239.21 o 5 23 0 0.23 -106.71 228.07 o -36 0 1 6.13 181.17 205.79 o -34 0 1 254.66 -164.76 181.18 o -32 0 1 669.20 351.82 228.68 o -30 0 1 457.20 563.48 178.25 o -28 0 1 248.07 41.04 145.41 o -26 0 1 39.24 226.32 130.75 o -24 0 1 35.06 162.41 144.23 o -22 0 1 9723.29 8699.30 310.84 o -20 0 1 5236.07 3817.66 189.62 o -18 0 1 440.93 34.01 104.37 o -16 0 1 986.35 1088.51 130.20 o -14 0 1 2842.25 2966.10 146.13 o -12 0 1 10956.60 11185.82 250.27 o -10 0 1 369.54 475.58 93.24 o -8 0 1 1540.11 1786.93 92.13 o -6 0 1 8365.86 4854.59 119.20 o -4 0 1 20410.79 20548.30 295.91 o -2 0 1 11832.53 15393.33 208.91 o 0 0 1 192463.00 119435.90 1414.49 o 2 0 1 63812.54 65398.85 778.71 o 4 0 1 22400.06 5581.35 118.96 o 6 0 1 10022.86 15483.61 253.18 o 8 0 1 4848.17 7233.32 181.04 o 10 0 1 4885.67 6204.43 179.79 o 12 0 1 6590.86 7783.84 217.46 o 14 0 1 113.55 254.47 101.43 o 16 0 1 7128.60 7061.70 252.04 o 18 0 1 4178.06 4401.42 213.64 o 20 0 1 114.23 411.01 145.41 o 22 0 1 48.98 -86.77 131.33 o 24 0 1 627.78 775.78 158.91 o 26 0 1 3250.96 2478.06 309.76 o 28 0 1 244.45 -156.55 156.55 o 30 0 1 23.95 23.45 158.30 o 32 0 1 15.84 -201.10 201.10 o 34 0 1 26.97 56.87 195.24 o -35 1 1 263.04 -146.00 189.38 o -33 1 1 220.98 0.00 212.84 o -31 1 1 57.46 -96.74 161.82 o -29 1 1 128.23 -149.51 149.51 o -27 1 1 618.02 369.42 158.91 o -25 1 1 3658.72 3027.56 209.46 o -23 1 1 12321.21 10207.74 342.14 o -21 1 1 1464.09 990.02 175.95 o -19 1 1 136.47 348.86 109.06 o -17 1 1 1924.78 2003.92 144.31 o -15 1 1 31082.15 31742.88 516.95 o -13 1 1 46482.63 42659.79 604.64 o -11 1 1 29689.50 30882.77 456.63 o -9 1 1 24231.61 30145.05 444.67 o -7 1 1 37525.69 42934.16 535.71 o -5 1 1 124709.05 166772.64 918.65 o -3 1 1 78755.91 111658.04 668.18 o -1 1 1 140382.86 163048.55 1724.33 o 1 1 1 25031.48 17683.87 243.51 o 3 1 1 11996.84 6275.64 112.71 o 5 1 1 107702.83 127750.80 1169.77 o 7 1 1 155858.83 194662.94 1640.96 o 9 1 1 145670.78 147202.97 1613.02 o 11 1 1 38640.36 39553.77 588.03 o 13 1 1 6485.98 8476.72 237.98 o 15 1 1 8306.02 9019.29 271.55 o 17 1 1 20579.04 17708.79 429.19 o 19 1 1 20188.02 17340.48 460.75 o 21 1 1 4091.19 3981.73 223.00 o 23 1 1 100.92 306.64 130.16 o 25 1 1 58.55 126.06 136.02 o 27 1 1 1323.69 985.82 219.92 o 29 1 1 710.79 734.73 226.93 o 31 1 1 249.84 582.22 191.73 o 33 1 1 29.01 26.97 193.48 o 35 1 1 1.39 581.03 209.31 o -36 2 1 4.50 372.89 205.21 o -34 2 1 230.58 140.72 211.66 o -32 2 1 607.04 724.16 250.96 o -30 2 1 386.92 583.41 181.77 o -28 2 1 38.64 463.18 153.61 o -26 2 1 58.58 174.13 125.47 o -24 2 1 638.04 469.11 159.50 o -22 2 1 8878.02 7138.35 280.22 o -20 2 1 8297.60 6864.83 254.38 o -18 2 1 149.16 226.32 119.02 o -16 2 1 1095.68 761.86 144.28 o -14 2 1 1827.88 1552.32 167.79 o -12 2 1 25385.16 26820.82 431.03 o -10 2 1 46920.73 58494.04 749.66 o -8 2 1 1074.45 1491.27 92.69 o -6 2 1 11345.53 12673.58 215.67 o -4 2 1 4394.79 3460.14 101.82 o -2 2 1 724.09 590.28 60.44 o 0 2 1 8845.17 16350.49 226.20 o 2 2 1 646.85 851.85 47.52 o 4 2 1 5725.61 8640.93 151.34 o 6 2 1 41836.38 34566.23 463.95 o 8 2 1 15564.92 20055.41 317.26 o 10 2 1 824.01 487.97 98.53 o 12 2 1 20.29 411.59 94.98 o 14 2 1 11651.44 13692.67 321.88 o 16 2 1 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