Information card for entry 4068637

Structure parameters

• Formula: C84 H72 N2 P4 Ru
• Calculated formula: C84 H72 N2 P4 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(C#Cc1ccc(nc1)c1ncccc1)C#Cc1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes
• Authors of publication: Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2195
• a: 9.6035 ± 0.0001 Å
• b: 22.335 ± 0.0001 Å
• c: 30.8769 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6622.92 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No