Information card for entry 7004648

Structure parameters

• Formula: C54 H90 Cl4 N4 Ru2
• Calculated formula: C54 H90 Cl4 N4 Ru2
• Title of publication: Probing the potential of N-heterocyclic carbenes in molecular electronics: redox-active metal centers interlinked by a rigid ditopic carbene ligand
• Authors of publication: Mercs, Laszlo; Neels, Antonia; Albrecht, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5570 - 5576
• a: 11.6954 ± 0.0007 Å
• b: 7.1268 ± 0.0003 Å
• c: 34.419 ± 0.002 Å
• α: 90°
• β: 91.422 ± 0.005°
• γ: 90°
• Cell volume: 2868 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No