Cl Cu H6.9 N3 O0.45 S3 Mosset A, Abboudi M, Galy J Zeitschrift fur Kristallographie 164 (1983) 171-180 Synthese, structure moleculaire et cristalline d'un rubeanate de cuivre(I): Cu Cl (C2 N2 S2 H4)1.5 (H2 O)0.45 _cod_database_code 1008176 _database_code_amcsd 0016113 CELL PARAMETERS: 14.2580 22.6860 13.5030 90.000 90.000 90.000 SPACE GROUP: Ccca X-RAY WAVELENGTH: 1.541838 Cell Volume: 4367.640 Density (g/cm3): 1.743 MAX. ABS. INTENSITY / VOLUME**2: 10.14928826 RIR: 1.897 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.79 79.03 11.3430 0 2 0 2 13.11 75.83 6.7515 0 0 2 2 14.68 2.47 6.0359 2 2 0 4 15.27 12.35 5.8016 0 2 2 4 15.62 18.26 5.6715 0 4 0 2 16.08 100.00 5.5104 2 2 1 8 18.10 12.08 4.9021 2 0 2 4 20.01 8.88 4.4383 2 4 0 4 20.19 8.33 4.3980 3 1 1 8 20.45 11.51 4.3426 0 4 2 4 21.07 4.78 4.2174 1 1 3 8 21.07 32.74 4.2164 2 4 1 8 21.58 10.71 4.1176 1 5 1 8 23.06 10.90 3.8563 3 3 1 8 23.22 2.00 3.8305 3 1 2 8 23.53 10.90 3.7810 0 6 0 2 23.84 2.90 3.7328 1 3 3 8 24.67 9.47 3.6082 2 2 3 8 24.98 8.71 3.5645 4 0 0 2 26.21 24.58 3.4005 4 2 0 4 26.40 8.90 3.3758 0 0 4 2 26.69 3.91 3.3403 2 6 0 4 27.04 2.99 3.2976 4 2 1 8 27.43 3.69 3.2510 1 1 4 8 27.57 4.00 3.2355 0 2 4 4 27.98 2.45 3.1890 3 5 1 8 29.02 12.72 3.0771 1 7 1 8 29.27 4.57 3.0510 2 0 4 4 29.41 1.14 3.0371 4 2 2 8 29.60 1.97 3.0179 4 4 0 4 29.65 2.76 3.0129 1 3 4 8 29.78 11.24 2.9999 3 3 3 8 30.34 1.50 2.9463 2 2 4 8 30.82 2.02 2.9008 0 4 4 4 31.25 1.53 2.8622 1 7 2 8 33.35 2.70 2.6869 2 4 4 8 33.41 1.59 2.6823 2 6 3 8 33.80 3.48 2.6518 3 5 3 8 34.02 12.35 2.6355 1 1 5 8 34.30 3.55 2.6145 0 8 2 4 34.58 19.41 2.5936 4 6 0 4 34.68 8.45 2.5864 1 7 3 8 34.69 1.24 2.5862 3 3 4 8 34.69 13.31 2.5862 2 8 1 8 35.65 4.94 2.5181 0 6 4 4 36.45 12.89 2.4651 2 2 5 8 36.66 1.32 2.4510 4 0 4 4 37.13 16.40 2.4211 4 6 2 8 37.55 4.01 2.3954 5 1 3 8 38.25 1.41 2.3531 3 5 4 8 38.65 1.59 2.3297 1 9 2 8 38.71 1.50 2.3258 6 2 0 4 39.04 5.48 2.3071 2 4 5 8 39.31 11.82 2.2921 6 2 1 8 39.34 3.38 2.2905 1 5 5 8 39.63 7.80 2.2739 2 8 3 8 40.07 1.62 2.2505 0 0 6 2 40.08 2.23 2.2499 4 4 4 8 40.22 1.58 2.2424 3 3 5 8 40.79 1.20 2.2124 1 1 6 8 41.75 7.26 2.1634 6 4 1 8 42.89 1.35 2.1087 2 2 6 8 43.25 2.04 2.0918 0 4 6 4 44.03 8.90 2.0567 4 6 4 8 45.17 1.71 2.0072 2 4 6 8 45.44 1.04 1.9959 3 9 3 8 46.99 8.43 1.9339 0 6 6 4 47.51 7.98 1.9139 4 10 0 4 47.80 3.15 1.9030 4 0 6 4 47.84 2.10 1.9014 3 7 5 8 48.13 4.98 1.8905 0 12 0 2 48.25 7.00 1.8860 2 8 5 8 49.00 1.22 1.8588 3 9 4 8 49.27 1.66 1.8495 7 1 3 8 49.50 7.45 1.8413 4 10 2 8 49.61 3.80 1.8374 2 2 7 8 49.63 1.13 1.8368 6 6 3 8 50.08 1.22 1.8214 6 8 0 4 50.39 1.59 1.8108 2 12 1 8 50.57 3.44 1.8050 6 8 1 8 50.59 4.85 1.8041 4 4 6 8 51.26 5.71 1.7823 8 0 0 2 51.67 1.36 1.7691 2 4 7 8 51.83 1.49 1.7639 2 12 2 8 51.87 1.20 1.7628 0 8 6 4 51.88 2.41 1.7623 6 2 5 8 52.46 2.20 1.7441 3 11 3 8 52.98 3.15 1.7283 6 6 4 8 53.15 2.36 1.7232 8 0 2 4 53.87 1.69 1.7018 6 4 5 8 53.93 2.68 1.7003 8 4 0 4 53.94 6.12 1.6998 4 6 6 8 54.71 1.76 1.6777 5 7 5 8 54.98 2.49 1.6701 4 12 0 4 55.17 1.33 1.6649 4 10 4 8 55.75 2.16 1.6488 8 4 2 8 56.75 1.16 1.6222 5 11 2 8 56.76 1.09 1.6220 7 1 5 8 57.20 1.04 1.6104 7 7 3 8 58.57 1.89 1.5761 8 0 4 4 58.72 1.16 1.5723 1 5 8 8 58.84 4.34 1.5694 2 14 1 8 59.38 4.03 1.5565 2 8 7 8 60.02 2.03 1.5413 0 6 8 4 60.71 1.98 1.5255 4 0 8 4 61.40 1.45 1.5100 6 8 5 8 61.86 1.72 1.4999 6 6 6 8 62.56 1.95 1.4848 6 2 7 8 63.11 1.87 1.4731 4 4 8 8 64.33 1.64 1.4480 6 4 7 8 64.68 1.23 1.4412 4 14 2 8 66.04 1.13 1.4147 4 6 8 8 66.45 1.30 1.4070 10 2 1 8 68.84 1.20 1.3638 2 14 5 8 70.71 1.74 1.3323 6 14 1 8 71.20 1.95 1.3243 6 8 7 8 72.06 1.75 1.3106 8 6 6 8 72.28 1.14 1.3072 0 16 4 4 72.95 1.02 1.2968 8 12 0 4 74.87 1.71 1.2682 10 8 1 8 76.17 1.00 1.2499 6 10 7 8 85.70 1.76 1.1335 12 6 0 4 86.64 1.06 1.1236 8 12 6 8 87.20 1.04 1.1179 12 6 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.