Information card for entry 2215614

Structure parameters

• Chemical name: Bis{2-[tris(hydroxymethyl)methyliminomethyl]phenolato-κ3N,O,O'}nickel(II) methanol solvate
• Formula: C23 H32 N2 Ni O9
• Calculated formula: C23 H32 N2 Ni O9
• SMILES: [Ni]1234([N](C(C[OH]2)(CO)CO)=Cc2c(O3)cccc2)[N](C(CO)(C[OH]1)CO)=Cc1ccccc1O4.OC
• Title of publication: Bis{2-[tris(hydroxymethyl)methyliminomethyl]phenolato-<i>{κ</i>}^3^<i>N</i>,<i>O</i>,<i>O</i>'}nickel(II) methanol solvate
• Authors of publication: Qing-wei Wang; Xiu-mei Li; Xiu-yan Wang; Yue Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2537 - m2537
• a: 11.19 ± 0.0003 Å
• b: 18.8378 ± 0.0005 Å
• c: 22.4202 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4726.1 ± 0.2 ų
• Cell temperature: 293 ± 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: 0.1548
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes