Information card for entry 2222237

Structure parameters

• Chemical name: Bis(6-methoxy-2-{[tris(hydroxymethyl)methyl- κ<i>O</i>]iminomethyl}phenolato-κ^2^<i>N</i>,<i>O</i>^1^)nickel(II) dihydrate
• Formula: C24 H36 N2 Ni O12
• Calculated formula: C24 H36 N2 Ni O12
• SMILES: c12cccc(c1O[Ni]134([N](=C2)C(C[OH]3)(CO)CO)[N](=Cc2c(c(ccc2)OC)O1)C(C[OH]4)(CO)CO)OC.O.O
• Title of publication: Bis(6-methoxy-2-{[tris(hydroxymethyl)methyl-κ<i>O</i>]iminomethyl}phenolato-κ^2^<i>N</i>,<i>O</i>^1^)nickel(II) dihydrate
• Authors of publication: Zhou, Tian; Zhou, Ru-Jin; An, Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m779
• a: 12.0142 ± 0.001 Å
• b: 10.9876 ± 0.001 Å
• c: 20.324 ± 0.002 Å
• α: 90°
• β: 97.501 ± 0.001°
• γ: 90°
• Cell volume: 2660 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes