Information card for entry 4085022

Structure parameters

• Chemical name: 2,7-dimethoxyfluorenyl-pentamethylcyclopentadienylcobalt(II)
• Formula: C25 H28 Co O2
• Calculated formula: C25 H28 Co O2
• SMILES: [Co]12345678([c]9([c]8([c]3([c]2([c]69C)C)C)C)C)[c]23cc(cc[c]52[c]24[c]1(cc(OC)cc2)[cH]73)OC
• Title of publication: Syntheses, Structures, and Properties of Substituted Co(C5Me5)(2,7-di(OCH3)fluorenido Co(II) and Co(III) Complexes
• Authors of publication: Bugenhagen, Bernhard E. C.; Brinn, Lisa; Prosenc, Marc H.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7015
• a: 12.5015 ± 0.0003 Å
• b: 8.31079 ± 0.00016 Å
• c: 19.7907 ± 0.0005 Å
• α: 90°
• β: 104.244 ± 0.002°
• γ: 90°
• Cell volume: 1992.99 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No