Information card for entry 7020982

Structure parameters

• Formula: C34 H45 Cl2 N3 Ni
• Calculated formula: C34 H45 Cl2 N3 Ni
• SMILES: [Ni](Cl)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)[n]1c(cccc1C)C
• Title of publication: Photoactivation of metal-halogen bonds in a Ni(ii) NHC complex.
• Authors of publication: Lee, Chang Hoon; Lutterman, Daniel A.; Nocera, Daniel G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2355 - 2357
• a: 34.143 ± 0.004 Å
• b: 15.1633 ± 0.0019 Å
• c: 12.8525 ± 0.0017 Å
• α: 90°
• β: 106.72 ± 0.002°
• γ: 90°
• Cell volume: 6372.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No