Information card for entry 2235906

Structure parameters

• Chemical name: {μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato- 1:2κ^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino- 2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>', <i>O</i>^1^}-μ-azido-1:2κ^2^<i>N</i>:<i>N</i>-azido-2κ<i>N</i>- methanol-2κ<i>O</i>-dinickel(II)
• Formula: C27 H42 N10 Ni2 O5
• Calculated formula: C27 H42 N10 Ni2 O5
• SMILES: [Ni]1234(Oc5c(OC)cccc5C=[N]2CC(C[NH2]3)(C)C)[O](C)c2cccc3c2[O]1[Ni]1([OH]C)([N](=C3)CC(C[NH2]1)(C)C)([N]4=N#N)N=N#N
• Title of publication: {μ-2-[(3-Amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1:2κ^5^<i>O</i>^1^,<i>O</i>^6^:<i>N</i>,<i>N</i>',<i>O</i>^1^}{2-[(3-amino-2,2-dimethylpropyl)iminomethyl]-6-methoxyphenolato-1κ^3^<i>N</i>,<i>N</i>',<i>O</i>^1^}-μ-azido-1:2κ^2^<i>N</i>:<i>N</i>-azido-2κ<i>N</i>-methanol-2κ<i>O</i>-dinickel(II)
• Authors of publication: Ghaemi, Akbar; Rayati, Saeed; Fayyazi, Kazem; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1027 - m1028
• a: 8.0907 ± 0.0002 Å
• b: 18.523 ± 0.0004 Å
• c: 21.1162 ± 0.0004 Å
• α: 90°
• β: 96.674 ± 0.002°
• γ: 90°
• Cell volume: 3143.11 ± 0.12 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: 0.0414
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes