Information card for entry 7103592

Structure parameters

• Formula: C64 H99 N29 Ni9 O15 S6
• Calculated formula: C64 H99 N29 Ni9 O15 S6
• Title of publication: The self-assembly and magnetic properties of a Ni(II)8(micro4-hydroxo)6 cube with micro2-pyrazolate as an exogeneous ancillary ligand.
• Authors of publication: Xu, Jing-Yuan; Qiao, Xin; Song, Hai-Bin; Yan, Shi-Ping; Liao, Dai-Zheng; Gao, Song; Journaux, Yves; Cano, Joan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6414 - 6416
• a: 13.118 ± 0.002 Å
• b: 13.782 ± 0.002 Å
• c: 15.595 ± 0.003 Å
• α: 81.716 ± 0.009°
• β: 79.43 ± 0.008°
• γ: 77.472 ± 0.01°
• Cell volume: 2689.6 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No