Information card for entry 7028198

Structure parameters

• Chemical name: Bis-[4-(2,2':6',2''-terpyrid-4'-yloxy)-2,2,6,6-tetramethyl-1-piperidinoxyl] manganese(II) ditetrafluoroborate acetonitrile solvate.
• Formula: C51 H58.5 B2 F8 Mn N9.5 O4.25
• Calculated formula: C51 H58.5 B2 F8 Mn N9.5 O4.25
• Title of publication: Complex chemistry of 2,2,6,6-tetramethyl-4-(2,2′∶6′,2″-terpyridin-4′-yloxy)piperidin-1-oxyl, a spin-labelled terpyridine ‡
• Authors of publication: Halcrow, Malcolm A.; Brechin, Euan K.; McInnes, Eric J. L.; Mabbs, Frank E.; Davies, John E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 15
• Pages of publication: 2477
• a: 17.403 ± 0.003 Å
• b: 18.906 ± 0.004 Å
• c: 9.077 ± 0.002 Å
• α: 90.68 ± 0.02°
• β: 93.29 ± 0.02°
• γ: 114.11 ± 0.01°
• Cell volume: 2719.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.1912
• Weighted residual factors for significantly intense reflections: 0.169
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No