Information card for entry 7019649

Structure parameters

• Formula: C51 H90 Fe3 O3
• Calculated formula: C51 H87 Fe3 O3
• Title of publication: [{Cp'Fe(μ-OH)}(3)]: the synthesis of a unique organometallic iron hydroxide.
• Authors of publication: Walter, Marc D.; White, Peter S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8506 - 8508
• a: 10.3786 ± 0.0002 Å
• b: 23.9595 ± 0.0005 Å
• c: 21.2188 ± 0.0005 Å
• α: 90°
• β: 92.417 ± 0.001°
• γ: 90°
• Cell volume: 5271.7 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No