Information card for entry 4075793

Structure parameters

• Formula: C28 H30 O Ru
• Calculated formula: C28 H30 O Ru
• SMILES: C(=O)C1[CH]2=[CH]3[C]4(=[CH](c5ccccc5)[Ru]56781234[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)c1ccccc1
• Title of publication: Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)
• Authors of publication: Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 2875
• a: 12.0777 ± 0.0003 Å
• b: 11.31 ± 0.0003 Å
• c: 16.7043 ± 0.0005 Å
• α: 90°
• β: 100.634 ± 0.0001°
• γ: 90°
• Cell volume: 2242.6 ± 0.11 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No