Information card for entry 2004710

Structure parameters

• Chemical name: Bis(1-ferrocenylpropyl) ether
• Formula: C26 H30 Fe2 O
• Calculated formula: C26 H30 Fe2 O
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C(OC(CC)[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)CC)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Racemic Bis(1-ferrocenylpropyl) Ether
• Authors of publication: Ferguson, G.; Trotter, J.; Glidewell, C.; Zakaria, C. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 775 - 777
• a: 9.509 ± 0.002 Å
• b: 10.312 ± 0.002 Å
• c: 11.541 ± 0.002 Å
• α: 99.51 ± 0.02°
• β: 90.59 ± 0.02°
• γ: 100.24 ± 0.02°
• Cell volume: 1097.4 ± 0.4 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.0816
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No