Information card for entry 7101486

Structure parameters

• Formula: C48 H28 Au6 Fe3 N24 O2
• Calculated formula: C48 Au6 Fe3 N24 O2
• Title of publication: Coordination polymers undergoing spin crossover and reversible ligand exchange in the solid
• Authors of publication: Ana Galet; M. Carmen Munoz; Jose A. Real
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 41
• a: 15.673 ± 0.0009 Å
• b: 15.673 ± 0.0009 Å
• c: 6.95 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1478.49 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No