Information card for entry 4065649

Structure parameters

• Formula: C28 H31 Cl3 N6 Ni O3
• Calculated formula: C28 H31 Cl3 N6 Ni O3
• SMILES: [Ni]123N(Cc4ccccc4)C(=O)CN4C=2N(C=C4)CCCN2C=3N(C=C2)CC(=O)N1Cc1ccccc1.C(Cl)(Cl)Cl.O
• Title of publication: Chiral Variation of a Hybrid Bis(carbene-amido) Ligand System
• Authors of publication: Jean-Baptiste dit Dominique, François; Gornitzka, Heinz; Hemmert, Catherine
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2868
• a: 10.5437 ± 0.0002 Å
• b: 14.9883 ± 0.0003 Å
• c: 19.1501 ± 0.0004 Å
• α: 90°
• β: 100.537 ± 0.001°
• γ: 90°
• Cell volume: 2975.3 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No