Information card for entry 7002040

Structure parameters

• Common name: 17 in manuscript
• Formula: C42 H60 Cl4 N6 O6 Pd2 S6
• Calculated formula: C21 H30 Cl2 N3 O3 Pd S3
• Title of publication: Controlling the coordination modes of a new and highly flexible ligand bearing two N-heterocyclic carbene moieties at a bipyridine backbone
• Authors of publication: Deißler, Christine; Rominger, Frank; Kunz, Doris
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7152
• a: 9.8168 ± 0.001 Å
• b: 12.4495 ± 0.0012 Å
• c: 12.8901 ± 0.0013 Å
• α: 67.107 ± 0.002°
• β: 80.082 ± 0.002°
• γ: 69.636 ± 0.002°
• Cell volume: 1359.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No