Information card for entry 4114408

Structure parameters

• Formula: C48 H28 Ag6 Fe3 N24 O2
• Calculated formula: C48 H24 Ag6 Fe3 N24 O2
• Title of publication: Synergy between Spin Crossover and Metallophilicity in Triple Interpenetrated 3D Nets with the NbO Structure Type
• Authors of publication: Ana Galet; Virginie Niel; M. Carmen Muñoz; José A. Real
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14224 - 14225
• a: 15.29 ± 0.0009 Å
• b: 15.29 ± 0.0009 Å
• c: 6.905 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1398.01 ± 0.13 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No