Information card for entry 4319114

Structure parameters

• Common name: compound 2a
• Formula: C66 H97.5 B N6 O4 P2 Ru
• Calculated formula: C66.28 H71 B N6 O4.32 P2 Ru
• Title of publication: Synthesis and Dehydrative Condensation of Monomeric Hydroxoruthenium Complexes with Hydrotris(3,5-diisopropylpyrazolyl)borate Ligand, TpiPr2Ru(L2)-OH (L2= dppe, bipy)
• Authors of publication: Munetaka Akita; Yoshiaki Takahashi; Shiro Hikichi; Yoshihiko Moro-oka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 169 - 172
• a: 12.919 ± 0.002 Å
• b: 21.544 ± 0.005 Å
• c: 12.6178 ± 0.0015 Å
• α: 91.895 ± 0.015°
• β: 103.815 ± 0.014°
• γ: 82.14 ± 0.02°
• Cell volume: 3378.2 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections: 0.2105
• Weighted residual factors for significantly intense reflections: 0.2009
• Goodness-of-fit parameter for all reflections: 1.752
• Goodness-of-fit parameter for significantly intense reflections: 1.772
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No