Information card for entry 4061677

Structure parameters

• Formula: C36.5 H62 B F4 N2 P Ru
• Calculated formula: C29 H44 B F4 N2 P Ru
• SMILES: [Ru]12345([P](C6=C([N]1(C)C)Cc1c6cccc1)(C(C)C)C(C)C)([N]#CC)[c]1([c]2([c]3([c]4([c]51C)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: 22.564 ± 0.002 Å
• b: 17.2402 ± 0.0016 Å
• c: 20.066 ± 0.0018 Å
• α: 90°
• β: 109.048 ± 0.001°
• γ: 90°
• Cell volume: 7378.3 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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