Information card for entry 2227270

Structure parameters

• Chemical name: Tetra-μ~3~-methanolato-tetrakis[(2-formyl-6- methoxyphenolato)methanolnickel(II)]
• Formula: C40 H56 Ni4 O20
• Calculated formula: C40 H56 Ni4 O20
• SMILES: c12c(cccc1OC)C=[O][Ni]13(O2)([O]2(C)[Ni]45(Oc6c(cccc6OC)C=[O]4)([O]1(C)[Ni]14(Oc6c(cccc6OC)C=[O]1)([O]5(C)[Ni]12(Oc2c(cccc2OC)C=[O]1)([O]34C)[OH]C)[OH]C)[OH]C)[OH]C
• Title of publication: Tetra-μ~3~-methanolato-tetrakis[(2-formyl-6-methoxyphenolato)methanolnickel(II)]
• Authors of publication: Ayikoe, Kouassi; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1487 - m1488
• a: 22.267 ± 0.0009 Å
• b: 22.267 ± 0.0009 Å
• c: 9.70106 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4810 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes