Information card for entry 4330097

Structure parameters

• Common name: 05319
• Formula: C20 H36 Co K O6
• Calculated formula: C20 H36 Co K O6
• SMILES: [Co]123456([CH2]=[CH]1[CH]2=[CH2]3)[CH2]=[CH]4[CH]5=[CH2]6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Naphthalene and Anthracene Cobaltates(1-): Useful Storable Sources of an Atomic Cobalt Anion
• Authors of publication: William W. Brennessel; John E. Ellis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9076 - 9094
• a: 11.1122 ± 0.0009 Å
• b: 13.544 ± 0.0011 Å
• c: 15.2768 ± 0.0013 Å
• α: 90°
• β: 94.778 ± 0.002°
• γ: 90°
• Cell volume: 2291.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No