Information card for entry 7018001

Structure parameters

• Formula: C16 H20 N6 O8 Zn
• Calculated formula: C16 H20 N6 O8 Zn
• SMILES: [OH2][Zn]12([n]3c(ccc4c3c(n[nH]c4=O)O1)C)([n]1c(ccc3c1c(O2)n[nH]c3=O)C)[OH2].O.O
• Title of publication: New photoluminescence acylhydrazidate-coordinated complexes.
• Authors of publication: Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2382 - 2392
• a: 7.6143 ± 0.0005 Å
• b: 7.7643 ± 0.0005 Å
• c: 8.7796 ± 0.0005 Å
• α: 84.066 ± 0.002°
• β: 71.7 ± 0.002°
• γ: 67.977 ± 0.002°
• Cell volume: 456.78 ± 0.05 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: 0.0316
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No