Information card for entry 2007941

Structure parameters

• Chemical name: 2,3-diethoxy-1-(1,10-phenanthroline-N,N')-1-ruthena-closo-undecaborane
• Formula: C16 H26 B10 N2 O2 Ru
• Calculated formula: C16 H26 B10 N2 O2 Ru
• SMILES: [Ru]123456([n]7cccc8ccc9ccc[n]1c9c78)[B]17([BH]893[BH]3%104[B]42([BH]2%115[BH]561[BH]178[BH]69%10[BH]342[BH]%11516)OCC)OCC
• Title of publication: A 1,10-Phenanthroline-Ligated <i>closo</i>-Ruthenaundecaborane: [(C~12~H~8~N~2~)RuB~10~H~8~(OC~2~H~5~)~2~]
• Authors of publication: Yong Nie; Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jie Sun; Ruo-Shui Jin; Pei-Ju Zheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1813 - 1815
• a: 9.069 ± 0.002 Å
• b: 17.009 ± 0.003 Å
• c: 15.104 ± 0.002 Å
• α: 90°
• β: 99.47 ± 0.02°
• γ: 90°
• Cell volume: 2298.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No