Information card for entry 4080461

Structure parameters

• Formula: C27 H36 N6 O5 Pd
• Calculated formula: C27 H36 N6 O5 Pd
• SMILES: [Pd]12(N(c3ccccc3)C(=O)CN3C=1N(C=C3)C)=C1N(CC(=O)N2c2ccccc2)C=CN1C.OC.OC.OC
• 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: 33.649 ± 0.007 Å
• b: 8.6216 ± 0.0017 Å
• c: 21.952 ± 0.004 Å
• α: 90°
• β: 117.83 ± 0.03°
• γ: 90°
• Cell volume: 5632 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No