Information card for entry 7227856

Structure parameters

• Formula: C81 H68 Cu4 N O20
• Calculated formula: C81 H65 Cu4 N O20
• Title of publication: A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties
• Authors of publication: Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 2042
• a: 18.4059 ± 0.0007 Å
• b: 18.7645 ± 0.0009 Å
• c: 34.5211 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11922.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No