Information card for entry 7011417

Structure parameters

• Formula: C69 H60 Cl6 Co5 N22 O
• Calculated formula: C69 H60 Cl6 Co5 N22 O
• SMILES: [Co]1234([Co]5678[Co]9%10%11%12[Co]%13%14%15%16[Co]([n]%17c(N%13c%13[n]9c(N5c5[n]1cccc5)ccc%13)cccc%17)([n]1c(N%14c5[n]%10c(N6c6[n]2cccc6)ccc5)cccc1)([n]1c(N%15c2[n]%11c(N7c5[n]3cccc5)ccc2)cccc1)([n]1c(N%16c2[n]%12c(N8c3[n]4cccc3)ccc2)cccc1)C#N)C#N.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.O(CC)CC
• Title of publication: Linear pentacobalt complexes: synthesis, structures, and physical properties of neutral and one-electron oxidation compounds
• Authors of publication: Yeh, Chen-Yu; Chou, Chung-Hsien; Pan, Kun-Chih; Wang, Chih-Chieh; Lee, Gene-Hsiang; Su, Y. Oliver; Peng, Shie-Ming
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2670
• a: 21.126 ± 0.0001 Å
• b: 16.007 ± 0.0001 Å
• c: 22.6729 ± 0.0002 Å
• α: 90°
• β: 111.685 ± 0.0004°
• γ: 90°
• Cell volume: 7124.54 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No