Information card for entry 2216161

Structure parameters

• Chemical name: Azido{2-[(tri-2-pyridylmethyl)iminomethyl]phenolato}nickel(II)
• Formula: C23 H17 N7 Ni O
• Calculated formula: C23 H17 N7 Ni O
• SMILES: [Ni]12([N](C(c3ncccc3)(c3ncccc3)c3[n]1cccc3)=Cc1ccccc1O2)N=N#N
• Title of publication: Azido{2-[(tri-2-pyridylmethyl)iminomethyl]phenolato}nickel(II)
• Authors of publication: Tian, Lai-Jin; Yang, Hong-Jun; Ni, Zhong-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2812 - m2812
• a: 10.7977 ± 0.0012 Å
• b: 14.9156 ± 0.0016 Å
• c: 12.7543 ± 0.0014 Å
• α: 90°
• β: 103.044 ± 0.002°
• γ: 90°
• Cell volume: 2001.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0723
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes