Information card for entry 4516678

Structure parameters

• Formula: C368 H416 F24 Fe8 N16 Na4 O28.7 P4
• Calculated formula: C368 H416 F24 Fe8 N16 Na4 O28.704 P4
• Title of publication: Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application
• Authors of publication: Lichtenberg, Crispin; Adelhardt, Mario; Gianetti, Thomas L.; Meyer, Karsten; de Bruin, Bas; Grützmacher, Hansjörg
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 6230
• a: 17.2377 ± 0.0005 Å
• b: 17.2377 ± 0.0005 Å
• c: 27.3182 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8117.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No