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Information card for entry 7224746
Preview
Coordinates | 7224746.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H22 Fe3 N25 O19 |
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Calculated formula | C18 H22 Fe3 N25 O19 |
SMILES | c1n(CC2=[O][Fe]345([O]6[Fe]7([O]=C(Cn8cnnn8)O[Fe]6(O2)([O]=C(Cn2cnnn2)O7)([OH2])[O]=C(Cn2cnnn2)O3)([OH2])(OC(Cn2cnnn2)=[O]4)[O]=C(Cn2cnnn2)O5)[OH2])nnn1.N(=O)(=O)[O-] |
Title of publication | Two new energetic coordination compounds based on Tetrazole-1-acetic acid: Syntheses, crystal structures and their synergistic catalytic effect for thermal decomposition of ammonium perchlorate |
Authors of publication | Kang, Li; Wei, Zhixian; Song, Jiang-Feng; Qu, Yuanyuan; Wang, Yale |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 12.0154 ± 0.0013 Å |
b | 20.745 ± 0.002 Å |
c | 16.311 ± 0.002 Å |
α | 90° |
β | 102.087 ± 0.003° |
γ | 90° |
Cell volume | 3975.5 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0767 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1373 |
Weighted residual factors for all reflections included in the refinement | 0.1597 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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