Information card for entry 4083725

Structure parameters

• Formula: C24 H37 Fe P
• Calculated formula: C24 H37 Fe P
• SMILES: [Fe]123456789[c]%10([c]2([cH]3[cH]4[cH]1%10)C(CC)CC)P([c]16[c]7([cH]8[cH]9[cH]51)C(CC)CC)C(C)(C)C
• Title of publication: Isomerization of an Enantiomerically Pure Phosphorus-Bridged [1]Ferrocenophane
• Authors of publication: Khozeimeh Sarbisheh, Elaheh; Green, Jennifer C.; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140623081557009
• a: 24.975 ± 0.005 Å
• b: 17.25 ± 0.004 Å
• c: 10.277 ± 0.002 Å
• α: 90°
• β: 91.71 ± 0.03°
• γ: 90°
• Cell volume: 4425.6 ± 1.6 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: 0.0385
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.68878 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No