Information card for entry 7010644

Structure parameters

• Formula: C15 H11 Br2 F6 N4 O P Ru
• Calculated formula: C15 H11 Br2 F6 N4 O P Ru
• SMILES: [Ru]12(Br)(Br)(N=O)[n]3c(cccc3)c3[n]1c(ccc3)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reactions of [RuCl2(NO)(terpy)]+ (terpy = 2,2' : 6',2″-terpyridine) with mono anions such as NO2‒, Br‒ and N3‒, and structural studies on terpyridineruthenium having a nitrosyl ligand
• Authors of publication: Hirano, Toshiyuki; Ueda, Koji; Mukaida, Masao; Nagao, Hirotaka; Oi, Takao
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 2341
• a: 9.187 ± 0.001 Å
• b: 16.638 ± 0.001 Å
• c: 13.1219 ± 0.0009 Å
• α: 90°
• β: 95.479 ± 0.005°
• γ: 90°
• Cell volume: 1996.6 ± 0.3 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No