Information card for entry 4330106

Structure parameters

• Common name: 04313
• Formula: C26 H46 Co K O6
• Calculated formula: C26 H46 Co K O6
• SMILES: [Co]123456([CH2]=[C]1([C]2(=[CH2]3)C)C)[CH]1=[CH]4CC[CH]5=[CH]6CC1.[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: 8.764 ± 0.001 Å
• b: 11.2048 ± 0.0013 Å
• c: 15.863 ± 0.002 Å
• α: 81.571 ± 0.002°
• β: 79.646 ± 0.002°
• γ: 67.214 ± 0.002°
• Cell volume: 1407.7 ± 0.3 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: 0.062
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No