Information card for entry 4061129

Structure parameters

• Formula: C62 H91 N5 Zn
• Calculated formula: C62 H88 N5 Zn
• SMILES: [Zn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)CC.N(C(=C\C(=N\c1c(cccc1C(C)C)C(C)C)C)/C)/c1c(cccc1C(C)C)C(C)C.N#CC
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 24.2452 ± 0.0007 Å
• b: 9.127 ± 0.0002 Å
• c: 26.6682 ± 0.0007 Å
• α: 90°
• β: 95.201 ± 0.001°
• γ: 90°
• Cell volume: 5877 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No