Information card for entry 4100302

Structure parameters

• Formula: C46 H56 N2 Zr2
• Calculated formula: C46 H56 N2 Zr2
• SMILES: [Zr]123456789([N]%10[Zr]%11%12%13%14%15%16%17%18(N1=%10)([c]1([cH]%14[c]%13([cH]%12[c]%111C)c1ccccc1)C)[c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)C)([c]1([cH]2[c]3([cH]4[c]51C)c1ccccc1)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 34.2735 ± 0.0019 Å
• b: 10.1637 ± 0.0007 Å
• c: 24.2411 ± 0.0015 Å
• α: 90°
• β: 110.735 ± 0.003°
• γ: 90°
• Cell volume: 7897.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No