Information card for entry 4315108

Structure parameters

• Formula: C110 H87 N30 Ni8 O42.5
• Calculated formula: C110 H78 N30 Ni8 O42.5
• 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: 32.347 ± 0.003 Å
• b: 11.0256 ± 0.0011 Å
• c: 40.637 ± 0.004 Å
• α: 90°
• β: 110.348 ± 0.001°
• γ: 90°
• Cell volume: 13589 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No