Information card for entry 7015889

Structure parameters

• Formula: C85 H121 In6 N24 O40.5
• Calculated formula: C85 H111 In6 N24 O40.5
• 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: 22.955 ± 0.005 Å
• b: 47.028 ± 0.009 Å
• c: 20.745 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22395 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No