Information card for entry 7056642

Structure parameters

• Formula: C42 H44 F12 N8 Ni P2
• Calculated formula: C42 H44 F12 N8 Ni P2
• Title of publication: Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands
• Authors of publication: Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 13442 - 13453
• a: 13.072 ± 0.003 Å
• b: 14.373 ± 0.003 Å
• c: 15.647 ± 0.004 Å
• α: 71.028 ± 0.004°
• β: 71.887 ± 0.004°
• γ: 65.687 ± 0.004°
• Cell volume: 2479.5 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1764
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No