Information card for entry 4088113

Structure parameters

• Formula: C30 H44 Br2 N4 Ni
• Calculated formula: C30 H44 Br2 N4 Ni
• SMILES: C1(N(CCCC)c2ccccc2N1CCCC)=[Ni](Br)(=C1N(CCCC)c2ccccc2N1CCCC)Br
• Title of publication: Facile Hydrolysis of Nickel(II) Complexes with N-Heterocyclic Carbene Ligands
• Authors of publication: Astakhov, Alexander V.; Khazipov, Oleg V.; Degtyareva, Evgeniya S.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5759
• a: 13.8444 ± 0.0009 Å
• b: 8.6503 ± 0.0006 Å
• c: 14.2728 ± 0.001 Å
• α: 90°
• β: 117.459 ± 0.001°
• γ: 90°
• Cell volume: 1516.72 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No