Information card for entry 4020990

Structure parameters

• Formula: C25 H18 Cl2 N4 Zn
• Calculated formula: C25 H18 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2N(c2[n]1cccc2)c1ccc(cc1)/C=C\c1ccc(cc1)C#N
• 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: 9.1979 ± 0.001 Å
• b: 8.4141 ± 0.0009 Å
• c: 14.9124 ± 0.0016 Å
• α: 90°
• β: 91.129 ± 0.002°
• γ: 90°
• Cell volume: 1153.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No