Information card for entry 7100869

Structure parameters

• Formula: C27 H16 N O9 P Ru3
• Calculated formula: C27 H16 N O9 P Ru3
• SMILES: [Ru]12([Ru]([H]3)([N]2([Ru]13(C#[O])(C#[O])C#[O])=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Experimental and Computational Studies on the Solvent-controlled Cluster Isomerism of Ru3(H)(CO)9(NPPh3) and Related Dynamics
• Authors of publication: Carlo Mealli; Antonio Tiripicchio; Andrew D. Phillips; Giovanni Predieri; Roberto Pattacini
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.3591 ± 0.001 Å
• b: 17.6646 ± 0.001 Å
• c: 18.1015 ± 0.001 Å
• α: 90°
• β: 100.1 ± 0.01°
• γ: 90°
• Cell volume: 2946.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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