Information card for entry 4079870

Structure parameters

• Formula: C55 H48 F12 N14 Ni P2
• Calculated formula: C55 H48 F12 N14 Ni P2
• Title of publication: A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes
• Authors of publication: Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 209
• a: 12.6512 ± 0.0005 Å
• b: 13.5778 ± 0.0006 Å
• c: 18.7523 ± 0.0008 Å
• α: 73.792 ± 0.004°
• β: 73.055 ± 0.004°
• γ: 67.873 ± 0.004°
• Cell volume: 2801.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No