Information card for entry 7056648

Structure parameters

• Formula: C44 H48 F12 N8 Ni P2
• Calculated formula: C44 H48 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
• a: 12.775 ± 0.0011 Å
• b: 14.4409 ± 0.0013 Å
• c: 16.4321 ± 0.0014 Å
• α: 78.288 ± 0.003°
• β: 71.501 ± 0.003°
• γ: 63.775 ± 0.001°
• Cell volume: 2571.8 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.1678
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No