Information card for entry 7111916

Structure parameters

• Formula: C38 H24 Fe N6 Pt
• Calculated formula: C38 H24 Fe N6 Pt
• Title of publication: Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity
• Authors of publication: Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1833
• a: 7.5174 ± 0.0002 Å
• b: 14.3676 ± 0.0007 Å
• c: 16.35 ± 0.002 Å
• α: 76.831 ± 0.008°
• β: 84.282 ± 0.006°
• γ: 89.965 ± 0.003°
• Cell volume: 1710.5 ± 0.2 ų
• Cell temperature: 250 ± 1 K
• Ambient diffraction temperature: 250 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No