Information card for entry 7020702

Structure parameters

• Formula: C78 H60 N12 O22 Zn8
• Calculated formula: C78 H60 N12 O22 Zn8
• Title of publication: Unsymmetrical octanuclear Schiff base clusters: synthesis, characterization and catalysis.
• Authors of publication: Kielland, Nicola; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1427 - 1436
• a: 16.6963 ± 0.0015 Å
• b: 16.6963 ± 0.0015 Å
• c: 14.714 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4101.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No