Information card for entry 2232064

Structure parameters

• Chemical name: Tri-μ-chloridobis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrachloridoferrate(III)
• Formula: C24 H36 Cl7 Fe Ru2
• Calculated formula: C24 H36 Cl7 Fe Ru2
• SMILES: [Ru]1234567([Cl][Ru]89%10%11%12([Cl]1)([Cl]2)[c]1([c]%12([c]%11([c]%10([c]9([c]81C)C)C)C)C)C)[c]1([c]7([c]6([c]5([c]4([c]31C)C)C)C)C)C.[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Tri-μ-chlorido-bis[(η^6^-hexamethylbenzene)ruthenium(II)] tetrachloridoferrate(III)
• Authors of publication: Štěpnička, Petr; Schulz, Jiří; Císařová, Ivana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1363 - m1364
• a: 8.449 ± 0.0002 Å
• b: 12.8352 ± 0.0002 Å
• c: 14.6752 ± 0.0004 Å
• α: 106.577 ± 0.0012°
• β: 90.4341 ± 0.0009°
• γ: 99.7915 ± 0.0012°
• Cell volume: 1500.43 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes