Information card for entry 7024922

Structure parameters

• Formula: C82 H54 Cl6 N12 Ni6 O20
• Calculated formula: C82 H54 Cl6 N12 Ni6 O20
• Title of publication: Wheel-like Mn(II)6 and Ni(II)6 complexes from the use of 2-pyridinealdoxime and carboxylates.
• Authors of publication: Zhang, Suyun; Zhen, Lina; Xu, Bin; Inglis, Ross; Li, Kai; Chen, Wenqian; Zhang, Yong; Konidaris, Konstantis F.; Perlepes, Spyros P.; Brechin, Euan K.; Li, Yahong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3563 - 3571
• a: 30.278 ± 0.018 Å
• b: 11.302 ± 0.005 Å
• c: 27.664 ± 0.016 Å
• α: 90°
• β: 112.46 ± 0.013°
• γ: 90°
• Cell volume: 8749 ± 8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No