Information card for entry 7119198

Structure parameters

• Formula: C399 H407 Cd8 N101 O87
• Calculated formula: C399 H403 Cd8 N97 O75
• Title of publication: Photoinduced energy- and electron-transfer from a photoactive coordination cage to bound guests.
• Authors of publication: Piper, Jerico R.; Cletheroe, Lewis; Taylor, Christopher G. P.; Metherell, Alexander J.; Weinstein, Julia A.; Sazanovich, Igor V.; Ward, Michael D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 408 - 411
• a: 23.1625 ± 0.0003 Å
• b: 23.7759 ± 0.0004 Å
• c: 24.2858 ± 0.0003 Å
• α: 108.55 ± 0.001°
• β: 101.782 ± 0.001°
• γ: 90.416 ± 0.001°
• Cell volume: 12374.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.3005
• Weighted residual factors for all reflections included in the refinement: 0.3325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No