Information card for entry 4330101

Structure parameters

• Common name: 04060
• Formula: C40 H58 Co K N2 O6
• Calculated formula: C40 H58 Co K N2 O6
• SMILES: [Co]123456([CH]7=[CH]1[CH]2=[CH]3c1cc2ccccc2cc71)[CH]1=[CH]4CC[CH]5=[CH]6CC1.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• 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: 12.1042 ± 0.001 Å
• b: 13.158 ± 0.0011 Å
• c: 14.4109 ± 0.0013 Å
• α: 108.664 ± 0.002°
• β: 107.142 ± 0.002°
• γ: 106.915 ± 0.002°
• Cell volume: 1880.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No