Information card for entry 4305464

Structure parameters

• Formula: C60 H62 Cu4 Mo12 N30 O43 P V2
• Calculated formula: C60 H60 Cu4 Mo12 N30 O43 P V2
• Title of publication: Catenation of Loop-Containing 2D Layers with a 3D pcu Skeleton into a New Type of Entangled Framework Having Polyrotaxane and Polycatenane Character
• Authors of publication: Chao Qin; Xin-Long Wang; En-Bo Wang; Zhong-Min Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5555 - 5557
• a: 13.118 ± 0.003 Å
• b: 14.624 ± 0.003 Å
• c: 15.193 ± 0.003 Å
• α: 95 ± 0.03°
• β: 114.61 ± 0.03°
• γ: 111.88 ± 0.03°
• Cell volume: 2355.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No