Information card for entry 7110489

Structure parameters

• Formula: C22 H21 Co Fe O5
• Calculated formula: C22 H20 Co Fe O5
• Title of publication: Grinding of an organometallic crystalline material leads to quantitative formation of a hydrated polymorph
• Authors of publication: Braga, Dario; Maini, Lucia; Grepioni, Fabrizia
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 937
• a: 12.251 ± 0.005 Å
• b: 17.276 ± 0.006 Å
• c: 18.083 ± 0.007 Å
• α: 90°
• β: 91.56 ± 0.03°
• γ: 90°
• Cell volume: 3826 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No