Information card for entry 7043557

Structure parameters

• Formula: C12 H22 N8 Ni O2
• Calculated formula: C12 H22 N8 Ni O2
• SMILES: C1(N=N(=O)[Ni]2([NH]=1)N(=NC(=[NH2]2)N1CCCCC1)=O)N1CCCCC1
• Title of publication: Metal-mediated Reactions between Dialkylcyanamides and Acetamidoxime Generate Unusual (Nitrosoguanidinate)Nickel(II) Complexes
• Authors of publication: Bikbaeva, Zarina M.; Novikov, Alexander S.; Suslonov, Vitalii V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.579 ± 0.0003 Å
• b: 14.3346 ± 0.0007 Å
• c: 8.3734 ± 0.0004 Å
• α: 90°
• β: 91.976 ± 0.005°
• γ: 90°
• Cell volume: 789.2 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No