Information card for entry 7038779

Structure parameters

• Formula: C39 H44 Cl N2 Ni0.5
• Calculated formula: C39 H44 Cl N2 Ni0.5
• Title of publication: An abnormal N-heterocyclic carbene based nickel complex for catalytic reduction of nitroarenes.
• Authors of publication: Vijaykumar, Gonela; Mandal, Swadhin K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7421 - 7426
• a: 11.4154 ± 0.0006 Å
• b: 12.6234 ± 0.0005 Å
• c: 15.328 ± 0.0008 Å
• α: 66.945 ± 0.004°
• β: 85.853 ± 0.004°
• γ: 71.589 ± 0.004°
• Cell volume: 1925 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0504
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No