Information card for entry 7101487

Structure parameters

• Formula: C25 H16 Au3 Fe1.5 N12 O
• Calculated formula: C25 H12 Au3 Fe1.5 N12 O
• 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: 8.24 ± 0.003 Å
• b: 14.79 ± 0.004 Å
• c: 14.532 ± 0.006 Å
• α: 112.694 ± 0.011°
• β: 95.567 ± 0.013°
• γ: 97.1 ± 0.02°
• Cell volume: 1601 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1392
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No