Information card for entry 4330103

Structure parameters

• Common name: 04347
• Formula: C30 H44 Co K O6
• Calculated formula: C30 H44 Co K O6
• SMILES: [Co]123456([CH]7=[CH]1[CH]2=[CH]3c1c7cccc1)[CH]1=[CH]4CC[CH]5=[CH]6CC1.[K]12345[O]6CC[O]2CC[O]3CC[O]1CC[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: 10.04 ± 0.002 Å
• b: 10.195 ± 0.002 Å
• c: 30.618 ± 0.005 Å
• α: 82.405 ± 0.003°
• β: 88.299 ± 0.003°
• γ: 68.125 ± 0.003°
• Cell volume: 2882.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No