Information card for entry 7024024

Structure parameters

• Formula: C27 H37 Cl3 Ru2
• Calculated formula: C27 H37 Cl3 Ru2
• SMILES: [Ru]123456789([c]%10([cH]1[cH]2[cH]3[cH]4[cH]5%10)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.Cl[Ru]12345(Cl)(Cl)[C]6(=[C]1([C]2(=[C]3([C]46=[CH2]5)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: 8.775 ± 0.0014 Å
• b: 24.948 ± 0.004 Å
• c: 14.7032 ± 0.0018 Å
• α: 90°
• β: 124.722 ± 0.007°
• γ: 90°
• Cell volume: 2645.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No