Information card for entry 7019648

Structure parameters

• Formula: C30 H57 Fe N3 Si2
• Calculated formula: C30 H57 Fe N3 Si2
• 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: 20.6031 ± 0.0004 Å
• b: 11.4977 ± 0.0003 Å
• c: 14.2483 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3375.26 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No