Information card for entry 7209085

Structure parameters

• Formula: C36 H28 Cd Cl2 N8 O4
• Calculated formula: C36 H28 Cd Cl2 N8 O4
• Title of publication: Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties
• Authors of publication: Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 324
• a: 10.558 ± 0.002 Å
• b: 25.831 ± 0.005 Å
• c: 16.593 ± 0.003 Å
• α: 90°
• β: 96.93 ± 0.03°
• γ: 90°
• Cell volume: 4492.2 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No