Information card for entry 7233983

Structure parameters

• Formula: C104 H84 N8 O30 Zr6
• Calculated formula: C104 H84 N8 O30 Zr6
• Title of publication: Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold
• Authors of publication: Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 42
• Pages of publication: 6365
• a: 19.551 ± 0.001 Å
• b: 24.348 ± 0.002 Å
• c: 19.579 ± 0.001 Å
• α: 90°
• β: 98.16 ± 0.02°
• γ: 90°
• Cell volume: 9225.8 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.3108
• Residual factor for significantly intense reflections: 0.1472
• Weighted residual factors for significantly intense reflections: 0.3325
• Weighted residual factors for all reflections included in the refinement: 0.4094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No