Information card for entry 4100793

Structure parameters

• Formula: C25 H22 B N7 O2 Ru
• Calculated formula: C25 H22 B N7 O2 Ru
• SMILES: [Ru]12(N=O)([n]3[n](ccc3)[BH]([n]3[n]1ccc3)[n]1[n]2ccc1)(CC(=O)c1ccccc1)C#Cc1ccccc1
• 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: 23.365 ± 0.004 Å
• b: 10.161 ± 0.0008 Å
• c: 23.375 ± 0.001 Å
• α: 90°
• β: 101.44 ± 0.001°
• γ: 90°
• Cell volume: 5439 ± 1 ų
• Cell temperature: 295.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No