Information card for entry 8100641

Structure parameters

• Formula: C14 H18 Cu N6 S2
• Calculated formula: C14 H18 Cu N6 S2
• SMILES: [Cu]123SC4N(N=C(C=4C=[N]2CC[N]3=CC2=C(S1)N(N=C2C)C)C)C
• Title of publication: Crystal structure of N,N'-ethylene-bis(1,3-dimethyl-5-pyrazolethiolato- iminomethyl)copper(II), C~14~H~18~CuN~6~S~2~
• Authors of publication: la Cour, A.; Toftlund, H.; Murray, K. S.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 215 - 216
• a: 8.474 ± 0.001 Å
• b: 12.417 ± 0.001 Å
• c: 8.2077 ± 0.0009 Å
• α: 99.115 ± 0.007°
• β: 102.094 ± 0.009°
• γ: 91.875 ± 0.009°
• Cell volume: 831.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No