Information card for entry 4300347

Structure parameters

• Formula: C48 H80 Br4 N4 Ni4 O8
• Calculated formula: C48 H80 Br4 N4 Ni4 O8
• SMILES: c1[n]2c(ccc1)C[O]13[Ni]42([OH]CCC(C)(C)C)(Br)[O]25Cc6cccc[n]6[Ni]12([OH]CCC(C)(C)C)(Br)[O]12Cc6cccc[n]6[Ni]31([O]14Cc3cccc[n]3[Ni]521([OH]CCC(C)(C)C)Br)([OH]CCC(C)(C)C)Br
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 12.8739 ± 0.0003 Å
• b: 12.8739 ± 0.0003 Å
• c: 36.3672 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6027.4 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No