H22 N9 O11 P3 Averbuch-Pouchot M, Durif A European Journal of Solid State and Inorganic Chemistry 30 (1993) 471-482 (Tris)guanidinium cyclotriphosphate and (tetra)guanidinium cyclotetraphosphate: two new examples of organic-cation cyclophosphates _cod_database_code 1007203 _database_code_amcsd 0012576 CELL PARAMETERS: 12.1400 15.1830 10.7060 90.000 97.490 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1956.510 Density (g/cm3): 1.538 MAX. ABS. INTENSITY / VOLUME**2: 3.256578974 RIR: 0.689 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.38 2.61 9.4321 1 1 0 4 10.37 70.68 8.5320 -1 0 1 2 11.66 15.86 7.5915 0 2 0 2 11.81 30.75 7.4914 1 0 1 2 11.90 1.03 7.4380 -1 1 1 4 13.18 1.31 6.7182 1 1 1 4 13.79 100.00 6.4210 1 2 0 4 14.34 45.46 6.1748 0 2 1 4 14.72 43.33 6.0182 2 0 0 2 15.62 3.38 5.6715 -1 2 1 4 16.63 8.18 5.3323 1 2 1 4 16.70 40.16 5.3073 0 0 2 2 17.00 3.56 5.2170 -2 1 1 4 18.32 3.74 4.8416 -1 1 2 4 18.80 5.04 4.7191 2 1 1 4 18.82 1.56 4.7160 2 2 0 4 19.02 1.24 4.6654 1 3 0 4 19.43 4.65 4.5683 0 3 1 4 19.80 31.67 4.4831 -2 2 1 4 20.02 5.24 4.4358 1 1 2 4 20.40 6.72 4.3528 -1 3 1 4 20.42 15.32 4.3497 0 2 2 4 20.96 2.90 4.2381 -1 2 2 4 21.19 2.60 4.1937 1 3 1 4 21.38 24.41 4.1552 2 2 1 4 21.64 24.09 4.1069 -2 1 2 4 22.65 13.28 3.9261 -3 0 1 2 23.40 39.96 3.8010 -3 1 1 4 23.44 42.99 3.7957 0 4 0 2 23.75 1.76 3.7457 2 0 2 2 23.78 51.88 3.7412 -2 3 1 4 23.93 4.04 3.7190 -2 2 2 4 24.48 13.98 3.6367 2 1 2 4 24.59 8.54 3.6200 1 4 0 4 24.72 2.76 3.6010 3 0 1 2 24.76 7.24 3.5952 -1 3 2 4 24.91 65.17 3.5741 0 4 1 4 25.10 2.09 3.5472 3 2 0 4 25.13 23.59 3.5442 2 3 1 4 25.29 6.56 3.5211 -1 0 3 2 25.42 8.87 3.5038 3 1 1 4 25.98 9.04 3.4300 -1 1 3 4 26.06 1.52 3.4194 1 3 2 4 26.54 2.80 3.3591 2 2 2 4 27.18 9.45 3.2808 1 0 3 2 27.79 3.21 3.2105 2 4 0 4 27.82 6.54 3.2070 0 2 3 4 27.82 2.32 3.2068 1 1 3 4 28.16 6.50 3.1689 -2 1 3 4 28.39 2.58 3.1440 3 3 0 4 28.61 2.16 3.1199 -3 2 2 4 28.78 4.74 3.1021 -3 3 1 4 29.31 5.70 3.0467 -1 4 2 4 29.62 7.00 3.0155 2 4 1 4 29.66 1.75 3.0116 1 2 3 4 29.67 9.86 3.0108 2 3 2 4 29.69 6.94 3.0091 4 0 0 2 30.20 2.39 2.9591 3 1 2 4 30.28 29.71 2.9517 4 1 0 4 30.38 1.45 2.9426 -4 1 1 4 30.94 6.59 2.8904 -1 3 3 4 31.27 3.03 2.8608 -1 5 1 4 31.46 7.77 2.8440 -3 0 3 2 31.51 5.51 2.8390 2 1 3 4 31.56 5.05 2.8350 -3 3 2 4 31.80 2.11 2.8142 1 5 1 4 31.92 3.66 2.8036 3 2 2 4 31.99 5.06 2.7974 4 2 0 4 32.02 1.80 2.7954 -3 1 3 4 32.23 1.28 2.7776 -4 0 2 2 32.47 2.19 2.7573 3 4 0 4 32.52 8.03 2.7530 1 3 3 4 32.82 1.01 2.7289 -3 4 1 4 32.82 1.07 2.7289 -2 3 3 4 33.04 3.72 2.7110 2 5 0 4 33.61 2.08 2.6661 2 4 2 4 34.01 1.10 2.6357 0 5 2 4 34.15 11.94 2.6254 -1 1 4 4 34.38 2.40 2.6085 -4 2 2 4 34.63 4.25 2.5905 2 5 1 4 34.75 3.38 2.5814 -1 4 3 4 34.77 2.84 2.5803 -4 3 1 4 35.65 1.25 2.5187 -2 1 4 4 35.70 13.61 2.5150 -1 2 4 4 35.96 2.77 2.4971 3 0 3 2 36.09 3.33 2.4891 1 1 4 4 36.19 4.72 2.4821 1 4 3 4 36.23 2.02 2.4793 -3 3 3 4 36.46 1.20 2.4640 3 1 3 4 37.06 1.75 2.4260 -1 6 1 4 37.14 1.56 2.4208 -2 2 4 4 37.44 6.48 2.4020 -3 5 1 4 37.51 1.35 2.3974 1 6 1 4 37.84 2.25 2.3776 5 1 0 4 38.15 2.02 2.3588 2 5 2 4 38.16 1.62 2.3584 -1 3 4 4 38.17 1.10 2.3580 4 4 0 4 38.62 4.21 2.3314 -3 1 4 4 38.83 1.38 2.3191 2 0 4 2 39.18 2.02 2.2994 2 4 3 4 39.45 1.22 2.2843 5 0 1 2 39.68 5.95 2.2714 -3 5 2 4 39.75 2.76 2.2675 -1 6 2 4 40.68 1.76 2.2179 2 2 4 4 40.86 2.27 2.2086 -5 2 2 4 41.39 4.93 2.1814 -1 4 4 4 41.54 3.22 2.1739 5 3 0 4 42.22 1.83 2.1403 3 6 0 4 42.28 8.73 2.1374 4 5 0 4 42.34 1.29 2.1346 1 7 0 4 42.67 1.34 2.1190 -2 4 4 4 42.81 1.44 2.1122 -4 1 4 4 43.05 2.07 2.1013 1 4 4 4 43.22 1.17 2.0934 2 5 3 4 43.37 1.15 2.0862 3 4 3 4 43.67 1.95 2.0725 5 1 2 4 43.69 5.96 2.0719 3 1 4 4 43.91 1.36 2.0618 -4 4 3 4 44.86 2.74 2.0205 -2 7 1 4 44.94 1.48 2.0169 5 2 2 4 45.00 2.76 2.0144 -2 2 5 4 45.20 1.20 2.0061 6 0 0 2 45.27 1.88 2.0032 -1 5 4 4 45.64 2.92 1.9876 2 7 1 4 45.67 1.20 1.9865 -3 0 5 2 46.02 1.35 1.9723 -5 4 2 4 46.07 1.46 1.9702 -1 3 5 4 46.53 5.57 1.9519 -6 2 1 4 46.66 1.18 1.9468 -6 1 2 4 47.59 1.45 1.9106 6 1 1 4 47.92 1.34 1.8985 -3 7 1 4 48.12 1.84 1.8909 -5 5 1 4 48.78 1.29 1.8668 6 2 1 4 48.89 1.21 1.8631 -3 5 4 4 48.99 1.43 1.8595 -4 4 4 4 49.28 1.36 1.8492 -3 3 5 4 49.68 3.71 1.8352 -1 6 4 4 49.78 2.76 1.8318 3 4 4 4 49.79 2.07 1.8313 0 6 4 4 50.44 1.67 1.8093 1 7 3 4 51.08 1.16 1.7880 -5 3 4 4 51.11 2.38 1.7871 0 8 2 4 51.12 1.02 1.7867 1 6 4 4 52.03 2.33 1.7576 -4 7 1 4 52.35 1.19 1.7477 -5 6 1 4 52.74 1.82 1.7356 3 2 5 4 53.61 1.19 1.7095 -4 7 2 4 54.28 1.04 1.6899 -7 2 1 4 54.47 1.26 1.6844 5 4 3 4 54.77 1.82 1.6760 1 2 6 4 56.58 1.21 1.6267 6 4 2 4 56.93 1.43 1.6175 -5 5 4 4 58.54 2.37 1.5768 -7 4 1 4 58.69 1.22 1.5730 6 3 3 4 59.92 1.57 1.5437 0 8 4 4 60.19 1.48 1.5374 3 5 5 4 60.73 1.81 1.5251 -5 6 4 4 61.26 1.02 1.5131 -3 9 2 4 61.61 1.54 1.5053 7 3 2 4 62.41 1.22 1.4880 -8 2 1 4 62.46 1.82 1.4870 0 2 7 4 66.16 1.32 1.4123 -7 6 2 4 66.90 1.39 1.3987 8 4 0 4 69.32 1.03 1.3555 4 10 0 4 70.52 1.21 1.3355 5 8 3 4 71.04 1.07 1.3268 0 0 8 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.