Information card for entry 4330102

Structure parameters

• Common name: 04051
• Formula: C34 H60 Co K N2 O6
• Calculated formula: C34 H60 Co K N2 O6
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Co]156234[CH]2=[CH]1CC[CH]5=[CH]6CC2.[K]1234567[O]8CC[O]1CC[N]21CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1
• 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: 17.889 ± 0.002 Å
• b: 11.8653 ± 0.0013 Å
• c: 16.562 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3515.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No