Information card for entry 4074165

Structure parameters

• Formula: C8 H13 I N2 Ni
• Calculated formula: C8 H13 I N2 Ni
• Title of publication: Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes
• Authors of publication: Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4391
• a: 7.2153 ± 0.0019 Å
• b: 8.362 ± 0.002 Å
• c: 9.324 ± 0.003 Å
• α: 90°
• β: 103.351 ± 0.012°
• γ: 90°
• Cell volume: 547.4 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections: 0.1286
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No