Information card for entry 7111423

Structure parameters

• Formula: C27 H45 N7 Ni
• Calculated formula: C27 H45 N7 Ni
• SMILES: C12N(C(C)(C)C)C=CN2CCN2CCN3C(=[Ni]=1=C1N(CC2)C=CN1C(C)(C)C)N(C=C3)C(C)(C)C
• Title of publication: Synthesis and characterization of electron-rich nickel tris-carbene complexes
• Authors of publication: Hu, Xile; Castro-Rodriguez, Ingrid; Meyer, Karsten
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2164 - 2165
• a: 14.0195 ± 0.0003 Å
• b: 14.0195 ± 0.0003 Å
• c: 14.0195 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2755.48 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No