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Information card for entry 4514446
Preview
Coordinates | 4514446.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H22 N6 Ni O5 |
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Calculated formula | C32 H22 N6 Ni O5 |
SMILES | [Ni]123([O]=C(O1)c1cc(O)cc(C(=O)[O-])c1)([n]1c(c4[n]2c2c([nH]4)cccc2)cccc1)[n]1ccccc1c1[nH]c2c([n]31)cccc2 |
Title of publication | Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach. |
Authors of publication | Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2019 |
Journal volume | 11 |
Journal issue | 29 |
Pages of publication | 25863 - 25869 |
a | 14.9446 ± 0.0004 Å |
b | 17.4259 ± 0.0005 Å |
c | 22.8666 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5955 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.081 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1561 |
Weighted residual factors for all reflections included in the refinement | 0.1729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4514446.html
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