Information card for entry 7211846

Structure parameters

• Formula: C28 H25 N5 O12 Zn2
• Calculated formula: C28 H25 N5 O12 Zn2
• Title of publication: A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties
• Authors of publication: Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1269
• a: 8.046 ± 0.0016 Å
• b: 9.589 ± 0.0019 Å
• c: 19.618 ± 0.004 Å
• α: 85.37 ± 0.03°
• β: 87.38 ± 0.03°
• γ: 70.57 ± 0.03°
• Cell volume: 1422.4 ± 0.6 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: 0.0553
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No