Information card for entry 4335894

Structure parameters

• Common name: [Zn(L-tzep)(H2O)2].H2O
• Chemical name: [Zn(L-tzep)(H2O)2].H2O
• Formula: C8 H17 N5 O5 Zn
• Calculated formula: C8 H17 N5 O5 Zn
• SMILES: [Zn]12(OC(=O)[C@H]3[N]2(CCc2n1nnn2)CCC3)([OH2])[OH2].O
• Title of publication: Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance
• Authors of publication: Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10096 - 10104
• a: 22.757 ± 0.005 Å
• b: 7.6987 ± 0.0015 Å
• c: 7.2625 ± 0.0015 Å
• α: 90°
• β: 90.948 ± 0.003°
• γ: 90°
• Cell volume: 1272.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No