Information card for entry 4020993

Structure parameters

• Formula: C17 H12 Cl2 N4 Zn
• Calculated formula: C17 H12 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(N(c3[n]1cccc3)c1ccc(cc1)C#N)cccc2
• Title of publication: Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
• Authors of publication: Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3517 - 3525
• a: 13.6939 ± 0.0008 Å
• b: 12.8453 ± 0.0007 Å
• c: 20.2516 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3562.3 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No