Information card for entry 2205161

Structure parameters

• Chemical name: Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)
• Formula: C15 H17 N5 Ni O
• Calculated formula: C15 H17 N5 Ni O
• SMILES: [Ni]12([N](CC[N]2(C)C)=Cc2c(O1)ccc1ccccc21)N=N#N
• Title of publication: Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)
• Authors of publication: Sun, Yu-Xi; Gao, Gen-Zhi; Zhang, Rui; Pei, Hong-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m397 - m398
• a: 7.576 ± 0.001 Å
• b: 13.3 ± 0.002 Å
• c: 30.306 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3053.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes