Information card for entry 4122063

Structure parameters

• Formula: C332 H294 Cd8 Cl16 N58 O64
• Calculated formula: C332 H294 Cd8 Cl12.5 N58 O50.05
• Title of publication: Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures.
• Authors of publication: Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 26
• Pages of publication: 9491 - 9498
• a: 42.0604 ± 0.0017 Å
• b: 25.907 ± 0.0011 Å
• c: 41.977 ± 0.002 Å
• α: 90°
• β: 90.464 ± 0.002°
• γ: 90°
• Cell volume: 45739 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.3111
• Weighted residual factors for all reflections included in the refinement: 0.3354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No