Information card for entry 4063121

Structure parameters

• Formula: C58 H44 I2 N4 Zr
• Calculated formula: C58 H44 I2 N4 Zr
• SMILES: [Zr]12(I)(I)([n]3ccc4ccccc4c3c3c4ccccc4ccc3N1Cc1ccccc1)[n]1ccc3ccccc3c1c1c3ccccc3ccc1N2Cc1ccccc1.c1ccccc1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 13.218 ± 0.003 Å
• b: 13.844 ± 0.004 Å
• c: 14.138 ± 0.003 Å
• α: 64.015 ± 0.006°
• β: 83.626 ± 0.008°
• γ: 80.516 ± 0.006°
• Cell volume: 2291.4 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No