Information card for entry 7104622

Structure parameters

• Formula: C272 H670 La60 N106 Ni76 O630
• Calculated formula: C272 H340 La60 N72 Ni76 O486
• Title of publication: A four-shell, 136-metal 3d-4f heterometallic cluster approximating a rectangular parallelepiped.
• Authors of publication: Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Harris, T David; Zheng, Zhiping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 29
• Pages of publication: 4354 - 4356
• a: 27.052 ± 0.005 Å
• b: 30.054 ± 0.005 Å
• c: 33.805 ± 0.006 Å
• α: 64.335 ± 0.003°
• β: 67.228 ± 0.003°
• γ: 75.832 ± 0.003°
• Cell volume: 22742 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No