Information card for entry 4100303

Structure parameters

• Formula: C36 H52 N2 Zr2
• Calculated formula: C36 H52 N2 Zr2
• SMILES: [Zr]123456789%10([NH]%11[Zr]%12%13%14%15%16%17%18([NH]1%11)([C]1(=C([CH]%14=[C]%13([CH]%121)C)C%10)C)([c]1([c]%18([c]%17([c]%16([c]%151C)C)C)C)C)C[c]13[cH]2[c]6([cH]5[c]41C)C)[C]1([C]9(=[C]8([C]7(=C1C)C)C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 22.2372 ± 0.0005 Å
• b: 22.2372 ± 0.0005 Å
• c: 12.7232 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6291.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No