Information card for entry 4080466

Structure parameters

• Formula: C18 H18 N6 O2 Pd
• Calculated formula: C18 H18 N6 O2 Pd
• SMILES: [Pd]123N(C(=O)CN4C=3N(C)C=C4)c3c(N1C(=O)Cn1c2c[n+](C)c1)cccc3
• Title of publication: Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes
• Authors of publication: Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1913
• a: 11.029 ± 0.002 Å
• b: 9.3359 ± 0.0019 Å
• c: 16.855 ± 0.003 Å
• α: 90°
• β: 100.81 ± 0.03°
• γ: 90°
• Cell volume: 1704.7 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No