Information card for entry 2015629

Structure parameters

• Chemical name: (1-aza-4-azoniabicyclo[2.2.2]octane-κN^1^) (1,4-diazabicyclo[2.2.2]octane-κN^1^)trichloromanganese(II)
• Formula: C12 H25 Cl3 Mn N4
• Calculated formula: C12 H25 Cl3 Mn N4
• Title of publication: Effects of <i>d</i>-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [<i>M</i>^II^Cl~3~(Hdabco)(dabco)]~<i>n~</i>, where <i>M</i> is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane
• Authors of publication: Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m507 - m509
• a: 10.601 ± 0.002 Å
• b: 10.601 ± 0.002 Å
• c: 12.484 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1215 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes