Information card for entry 7039415

Structure parameters

• Formula: C48 H66 K8 Ni12 O73
• Calculated formula: C48 H60 K8 Ni12 O73
• Title of publication: Construction of magnet-type coordination polymers using high-spin {Ni4}-citrate cubane as secondary building units.
• Authors of publication: Li, Teng; Wang, Yanyan; Qin, Lei; Han, Tian; Ding, You-Song; Hu, Yue-Qiao; Zheng, Yan-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10798 - 10806
• a: 13.0462 ± 0.0006 Å
• b: 14.7766 ± 0.0007 Å
• c: 22.388 ± 0.0011 Å
• α: 101.796 ± 0.001°
• β: 106.077 ± 0.001°
• γ: 96.109 ± 0.001°
• Cell volume: 3998.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No