Information card for entry 4070098

Structure parameters

• Formula: C36 H62 P4 Ru
• Calculated formula: C36 H62 P4 Ru
• SMILES: [Ru]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)C(=Cc2c1cc(cc2)C(C)(C)C)C#Cc1ccc(C(C)(C)C)cc1
• Title of publication: Formation of Ruthenaindenes by Cyclometalation of Ruthenium(II) Diarylbutenyne Complexes
• Authors of publication: Field, Leslie D.; Magill, Alison M.; Bhadbhade, Mohan M.; Dalgarno, Scott J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5514
• a: 9.9351 ± 0.0008 Å
• b: 11.5379 ± 0.0011 Å
• c: 32.773 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3756.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No