Information card for entry 4061676

Structure parameters

• Formula: C29 H44 B F4 N2 P Ru
• Calculated formula: C29 H44 B F4 N2 P Ru
• SMILES: [Ru]12345([P](C6C(=Cc7ccccc67)[N]1(C)C)(C(C)C)C(C)C)([N]#CC)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[B](F)(F)(F)[F-]
• Title of publication: Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.9627 ± 0.0006 Å
• b: 14.7936 ± 0.0007 Å
• c: 16.9124 ± 0.0008 Å
• α: 90°
• β: 91.757 ± 0.0008°
• γ: 90°
• Cell volume: 2991.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No