Information card for entry 4100790

Structure parameters

• Formula: C27 H26 B N7 O2 Ru
• Calculated formula: C27 H26 B N7 O2 Ru
• SMILES: [Ru]123(N=O)([n]4[n](ccc4)[BH]([n]4[n]1ccc4)[n]1[n]2ccc1)C(C(=O)C(=C3)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Hydration of Nitrosylruthenium Bis(alkynyl) Complexes with Hydrotris(pyrazolyl)borate: Insertion/Hydration and Double Hydration Products
• Authors of publication: Yasuhiro Arikawa; Yoshimasa Nishimura; Kenta Ikeda; Masayoshi Onishi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3706 - 3707
• a: 10.5206 ± 0.0008 Å
• b: 19.82 ± 0.002 Å
• c: 13.2299 ± 0.0002 Å
• α: 90°
• β: 101.937 ± 0.0003°
• γ: 90°
• Cell volume: 2699 ± 0.3 ų
• Cell temperature: 295.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No