Information card for entry 4315111

Structure parameters

• Formula: C60 H44 N16 Ni4 O20
• Calculated formula: C60 H40 N16 Ni4 O20
• Title of publication: Hierarchical Assembly of Extended Coordination Networks Constructed by Novel Metallacalix[4]arenes Building Blocks
• Authors of publication: Xia Li; Benlai Wu; Ruiying Wang; Hongyun Zhang; Caoyuan Niu; Yunyin Niu; Hongwei Hou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2600 - 2613
• a: 14.067 ± 0.0007 Å
• b: 14.067 ± 0.0007 Å
• c: 39.336 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7783.8 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No