Information card for entry 4134688

Structure parameters

• Formula: C24 H16 N2 Ni O
• Calculated formula: C24 H16 N2 Ni O
• Title of publication: Toward the Design of Phosphorescent Emitters of Cyclometalated Earth-Abundant Nickel(II) and Their Supramolecular Study.
• Authors of publication: Wong, Yip-Sang; Tang, Man-Chung; Ng, Maggie; Yam, Vivian Wing-Wah
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7638 - 7646
• a: 9.4673 ± 0.0008 Å
• b: 11.3216 ± 0.0009 Å
• c: 32.085 ± 0.003 Å
• α: 90°
• β: 97.472 ± 0.003°
• γ: 90°
• Cell volume: 3409.8 ± 0.5 ų
• Cell temperature: 100.04 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No