Information card for entry 4348115

Structure parameters

• Formula: C140 H96 N22 O19 Zn4
• Calculated formula: C140 H96 N22 O19 Zn4
• Title of publication: In Situ Spectroelectrochemical Investigations of the Redox-Active Tris[4-(pyridin-4-yl)phenyl]amine Ligand and a Zn(2+) Coordination Framework.
• Authors of publication: Hua, Carol; Baldansuren, Amgalanbaatar; Tuna, Floriana; Collison, David; D'Alessandro, Deanna M
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7270 - 7280
• a: 12.3866 ± 0.001 Å
• b: 27.373 ± 0.002 Å
• c: 18.5603 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6293 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No