Information card for entry 4104776

Structure parameters

• Formula: C110 H204 B2 Fe2 N4 O4 P6
• Calculated formula: C110 H204 B2 Fe2 N4 O4 P6
• Title of publication: Characterization of Structurally Unusual Diiron NxHy Complexes
• Authors of publication: Caroline T. Saouma; Peter Müller; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10358 - 10359
• a: 16.47 ± 0.002 Å
• b: 27.384 ± 0.004 Å
• c: 25.154 ± 0.005 Å
• α: 90°
• β: 93.697 ± 0.002°
• γ: 90°
• Cell volume: 11321 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No