Information card for entry 7008156

Structure parameters

• Formula: C17 H37 Co2 N11 O5
• Calculated formula: C17 H37 Co2 N11 O5
• SMILES: C1C[NH]2CC3(C[NH]4CC[NH]5CCC[NH]1[Co]245([N]#C[Co](C#N)(C#N)(C#N)(C#N)C#N)[NH2]3)C.O.O.O.O.O
• Title of publication: Pressure and temperature effects on metal-to-metal charge transfer in cyano-bridged CoIII-FeII complexes.
• Authors of publication: Macpherson, Brendan P.; Alzoubi, Basam M.; Bernhardt, Paul V.; Martínez, Manuel; Tregloan, Peter A.; van Eldik, Rudi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1459 - 1467
• a: 9.9425 ± 0.0006 Å
• b: 13.294 ± 0.002 Å
• c: 20.143 ± 0.002 Å
• α: 90°
• β: 90.66 ± 0.01°
• γ: 90°
• Cell volume: 2662.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1415
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No