Information card for entry 7024023

Structure parameters

• Formula: C25 H25 Cl O2 Ru
• Calculated formula: C25 H25 Cl O2 Ru
• SMILES: [Ru]123456(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(Cl)[C]1(=[C]2([C]3(=[C]4([C]51=[CH2]6)C)C)C)C
• Title of publication: Synthesis and characterisation of tetramethylfulvene complexes of ruthenium.
• Authors of publication: Rodríguez-Bárzano, Andrea; Blacker, A. John; McGowan, Patrick C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16669 - 16671
• a: 7.432 ± 0.006 Å
• b: 11.285 ± 0.002 Å
• c: 25.701 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2156 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No