Information card for entry 7111422

Structure parameters

• Formula: C27 H45 Cl N7 Ni
• Calculated formula: C27 H45 Cl N7 Ni
• SMILES: [Ni]123=C4N(CC[N]3(CCN3C=1N(C=C3)C(C)(C)C)CCN1C=2N(C=C1)C(C)(C)C)C=CN4C(C)(C)C.[Cl-]
• 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: 14.5847 ± 0.0008 Å
• b: 14.7332 ± 0.0009 Å
• c: 14.7698 ± 0.0009 Å
• α: 103.271 ± 0.001°
• β: 99.465 ± 0.001°
• γ: 105.276 ± 0.001°
• Cell volume: 2893.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No