Information card for entry 7233982

Structure parameters

• Formula: C97 H96 N12 O19 Zn4
• Calculated formula: C97 H96 N12 O19 Zn4
• 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: 11.593 ± 0.0006 Å
• b: 45.238 ± 0.002 Å
• c: 23.3964 ± 0.0011 Å
• α: 90°
• β: 91.12 ± 0.002°
• γ: 90°
• Cell volume: 12267.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.24 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No