Information card for entry 7018096

Structure parameters

• Formula: C68 H48 Cd2 N12 O16
• Calculated formula: C68 H48 Cd2 N12 O16
• Title of publication: Design and construction of coordination polymers based on 2,2'-dinitro-4,4'-biphenyldicarboxylate and semi-rigid N-donor ligands: diverse structures and magnetic properties.
• Authors of publication: Li, Baiyan; Yang, Fen; Zhang, Yiming; Li, Guanghua; Zhou, Qi; Hua, Jia; Shi, Zhan; Feng, Shouhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2677 - 2684
• a: 9.2582 ± 0.0019 Å
• b: 13.59 ± 0.003 Å
• c: 25.513 ± 0.005 Å
• α: 86.71 ± 0.03°
• β: 87.74 ± 0.03°
• γ: 85.16 ± 0.03°
• Cell volume: 3191.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1877
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No