Information card for entry 4064280

Structure parameters

• Common name: ansa-Cbc-Naph
• Chemical name: l,l'-( 1,8-naphthalenediyl)cobaltocene
• Formula: C20 H14 Co
• Calculated formula: C20 H14 Co
• SMILES: [Co]123456789[c]%10(c%11cccc%12cccc(c%11%12)[c]%115[cH]6[cH]7[cH]8[cH]9%11)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: Anansa-Cobaltocene with a Naphthalene Handle: Synthesis and Spectroscopic and Structural Characterization
• Authors of publication: Pagels, Nils; Prosenc, Marc H.; Heck, Jürgen
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1968
• a: 7.729 ± 0.004 Å
• b: 9.632 ± 0.005 Å
• c: 9.909 ± 0.005 Å
• α: 74.604 ± 0.006°
• β: 74.957 ± 0.005°
• γ: 72.13 ± 0.005°
• Cell volume: 664 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No