Information card for entry 7000876

Structure parameters

• Formula: C16 H28 Cl2 N4 Pd S2
• Calculated formula: C16 H28 Cl2 N4 Pd S2
• SMILES: CN1C(=[Pd](=C2N(C=CN2CCSCC)C)(Cl)Cl)N(C=C1)CCSCC
• Title of publication: Versatile coordination modes of novel hemilabile S-NHC ligands
• Authors of publication: Fliedel, Christophe; Schnee, Gilles; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2474 - 2476
• a: 7.8872 ± 0.0008 Å
• b: 7.9205 ± 0.0009 Å
• c: 9.8308 ± 0.0007 Å
• α: 96.521 ± 0.006°
• β: 91.623 ± 0.006°
• γ: 114.409 ± 0.004°
• Cell volume: 553.7 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No