Information card for entry 4134689

Structure parameters

• Formula: C16 H11 Cl N2 Ni
• Calculated formula: C16 H11 Cl N2 Ni
• 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: 9.772 ± 0.003 Å
• b: 14.573 ± 0.004 Å
• c: 9.077 ± 0.004 Å
• α: 90°
• β: 95.29 ± 0.03°
• γ: 90°
• Cell volume: 1287.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.65295 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No