Information card for entry 4350738

Structure parameters

• Formula: C129 H79 N43 O28 Zn9
• Calculated formula: C129 H79 N43 O28 Zn9
• Title of publication: Design and synthesis of nucleobase-incorporated metal‒organic materials
• Authors of publication: Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 159
• a: 19.801 ± 0.007 Å
• b: 20.162 ± 0.007 Å
• c: 27.225 ± 0.009 Å
• α: 97.544 ± 0.005°
• β: 100.609 ± 0.005°
• γ: 111.627 ± 0.005°
• Cell volume: 9692 ± 6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.15 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: 0.0836
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No