Information card for entry 4085338

Structure parameters

• Formula: C48 H68 Fe2
• Calculated formula: C48 H68 Fe2
• Title of publication: Benzylidyne Bridges from Diphenylacetylene and a Methylidyne Bridge from Methylmagnesium Chloride
• Authors of publication: Vollmer, Guy Y.; Wallasch, Mark W.; Saurenz, Dirk; Eger, Tobias R.; Bauer, Heiko; Wolmershäuser, Gotthelf; Prosenc, Marc H.; Sitzmann, Helmut
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 644
• a: 11.4246 ± 0.0009 Å
• b: 17.1036 ± 0.001 Å
• c: 11.7811 ± 0.0009 Å
• α: 90°
• β: 113.143 ± 0.009°
• γ: 90°
• Cell volume: 2116.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No