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Information card for entry 7247102
Preview
Coordinates | 7247102.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H31 Cl4 Cu3 N31 O20 |
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Calculated formula | C15 H31 Cl4 Cu3 N31 O20 |
SMILES | c1(N)nc(N)n2Cc3[n]4[Cu]5([n]12)([n]1c(n(c2Cn6c(N)nc(N)[n]6[Cu]6([n]7c(n(c8Cn9c(N)nc(N)[n]9[Cu]([n]4c(n3N)N)([n]78)[O]56)N)N)[n]12)N)N)OCl(=O)(=O)=O.N(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials |
Authors of publication | Xia, Liang-hong; Wang, Yan-na; Yang, Xiao-ming; Liang, Lin-na; Li, Zhi-min; Zhang, Tong-lai |
Journal of publication | RSC Advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 32 |
Pages of publication | 22549 - 22558 |
a | 22.0613 ± 0.0013 Å |
b | 13.9583 ± 0.0008 Å |
c | 14.5135 ± 0.0008 Å |
α | 90° |
β | 95.203 ± 0.001° |
γ | 90° |
Cell volume | 4450.8 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1327 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.1665 |
Weighted residual factors for all reflections included in the refinement | 0.2038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7247102.html
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Users of the data should acknowledge the original authors of the
structural data.