Information card for entry 7005713

Structure parameters

• Formula: C18 H24 Cl2 Mn N10 O8
• Calculated formula: C18 H24 Cl2 Mn N10 O8
• Title of publication: Supramolecular assemblies prepared from an iron(ii) tripodal imidazole complex. A molecular scaffolding for the self assembly of icosahedral complexes of K+, Rb+, Cs+ and NH4+ cations
• Authors of publication: Brewer, Greg; Butcher, Ray J.; Viragh, Carol; White, Genevieve
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4132
• a: 9.7997 ± 0.0009 Å
• b: 16.6091 ± 0.0016 Å
• c: 16.043 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2611.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No