Information card for entry 4319115

Structure parameters

• Common name: compound 4b
• Formula: C68 H92 B Cl N6 O5 P2 Ru
• Calculated formula: C68 H92 B Cl N6 O5 P2 Ru
• SMILES: [Ru]123([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([OH2])[n]1n(c(cc1C(C)C)C(C)C)[BH](n1[n]2c(cc1C(C)C)C(C)C)n1[n]3c(cc1C(C)C)C(C)C.Clc1cc(C(=O)[O-])ccc1.O1CCCC1.O1CCCC1
• 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: 16.23 ± 0.005 Å
• b: 16.205 ± 0.004 Å
• c: 15.454 ± 0.009 Å
• α: 91.69 ± 0.04°
• β: 115.78 ± 0.03°
• γ: 100.6 ± 0.04°
• Cell volume: 3570 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.2022
• Weighted residual factors for significantly intense reflections: 0.1935
• Goodness-of-fit parameter for all reflections: 1.473
• Goodness-of-fit parameter for significantly intense reflections: 1.523
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No