Information card for entry 7100176

Structure parameters

• Formula: C14 H8 N2 O9 Ru3
• Calculated formula: C14 H8 N2 O9 Ru3
• SMILES: C12N(C=CN1C)C1[RuH]3(C#[O])(C#[O])(C#[O])[RuH]=2(C#[O])(C#[O])(C#[O])[Ru]13(C#[O])(C#[O])C#[O]
• Title of publication: Easy activation of two CH bonds of an N-heterocyclic carbene N-methyl group
• Authors of publication: Javier A. Cabeza; I.del Rio; M. Gabriela Sanchez-Vega; Daniel Miguel
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.455 ± 0.008 Å
• b: 9.915 ± 0.008 Å
• c: 18.843 ± 0.015 Å
• α: 90°
• β: 95.799 ± 0.016°
• γ: 90°
• Cell volume: 1943 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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