Information card for entry 7015890

Structure parameters

• Formula: C117 H153 In9 N36 O54
• Calculated formula: C117 H135 In9 N27 O27
• Title of publication: Entropically driven self-assembly of a strained hexanuclear indium metal-organic macrocycle and its behavior in solution.
• Authors of publication: Oh, Minhak; Liu, Xinfang; Park, Mira; Kim, Dongwook; Moon, Dohyun; Lah, Myoung Soo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5720 - 5727
• a: 29.234 ± 0.004 Å
• b: 29.234 ± 0.004 Å
• c: 39.139 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33449 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 116
• Hermann-Mauguin space group symbol: P -4 c 2
• Hall space group symbol: P -4 -2c
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2833
• Weighted residual factors for all reflections included in the refinement: 0.303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No