Information card for entry 7017766

Structure parameters

• Formula: C84 H90 Co2 N10 O4
• Calculated formula: C84 H90 Co2 N10 O4
• SMILES: [Co]123([N]4=Cc5n1c(cc5)C(CC)(CC)c1n2c(cc1)C=[N]3c1cccc2cc3cccc([N]5[Co]67(n8c(C=5)ccc8C(CC)(CC)c5n6c(cc5)C=[N]7c5cccc6cc7cccc4c7cc56)[n]4ccccc4)c3cc12)[n]1ccccc1.O1CCCC1.C1CCCO1.C1OCCC1.O1CCCC1
• Title of publication: Double-pillared cobalt Pacman complexes: synthesis, structures and oxygen reduction catalysis.
• Authors of publication: Devoille, Aline M. J.; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 65 - 72
• a: 14.9616 ± 0.0003 Å
• b: 16.2706 ± 0.0003 Å
• c: 28.8075 ± 0.0006 Å
• α: 90°
• β: 91.944 ± 0.002°
• γ: 90°
• Cell volume: 7008.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No