Information card for entry 7205920

Structure parameters

• Formula: C16 H14 Ca O10
• Calculated formula: C16 H14 Ca O10
• Title of publication: Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic‒organic frameworks
• Authors of publication: Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 6595
• a: 5.96 ± 0.002 Å
• b: 7.634 ± 0.003 Å
• c: 18.603 ± 0.007 Å
• α: 90.145 ± 0.006°
• β: 95.804 ± 0.006°
• γ: 97.105 ± 0.006°
• Cell volume: 835.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No