Information card for entry 8101880

Structure parameters

• Common name: BaCp*2Py3
• Chemical name: bis(pentamethylcyclopentadienyl)tri(pyridine)barium
• Formula: C35 H45 Ba N3
• Calculated formula: C35 H45 Ba N3
• Title of publication: Crystal structure of bis(pentamethylcyclopentadienyl)tri(pyridine) barium, Ba(C~5~H~5~N)~3~(C~10~H~15~)~2~
• Authors of publication: Fichtel, K.; Behrens, U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 609 - 610
• a: 15.7141 ± 0.0005 Å
• b: 12.8573 ± 0.0004 Å
• c: 15.7388 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3179.88 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No