Information card for entry 7103113

Structure parameters

• Formula: C120 H96 Cd4 N16 O20
• Calculated formula: C120 H88 Cd4 N16 O20
• Title of publication: Unusual parallel and inclined interlocking modes in polyrotaxane-like metal-organic frameworks.
• Authors of publication: Yang, Jin; Ma, Jian-Fang; Batten, Stuart R; Su, Zhong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2233 - 2235
• a: 15.0358 ± 0.001 Å
• b: 34.679 ± 0.002 Å
• c: 21.8823 ± 0.0014 Å
• α: 90°
• β: 94.823 ± 0.001°
• γ: 90°
• Cell volume: 11369.7 ± 1.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No