Information card for entry 7039414

Structure parameters

• Formula: C72 H89 K14 Ni17 O117
• Calculated formula: C72 H89 K14 Ni17 O117
• 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: 41.275 ± 0.004 Å
• b: 13.1665 ± 0.0012 Å
• c: 24.798 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13476 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No