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Information card for entry 4335895
Preview
Coordinates | 4335895.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Zn(R-tzep)(H2O)2].H2O |
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Chemical name | [Zn(R-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 | 22.911 ± 0.002 Å |
b | 7.7031 ± 0.0006 Å |
c | 7.361 ± 0.0007 Å |
α | 90° |
β | 90.668 ± 0.006° |
γ | 90° |
Cell volume | 1299 ± 0.2 Å3 |
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 | 0.0261 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.0413 |
Weighted residual factors for all reflections included in the refinement | 0.0421 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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