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Information card for entry 7043375
Preview
Coordinates | 7043375.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H24 N16 O14 Sr2 |
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Calculated formula | C4 H24 N16 O14 Sr2 |
SMILES | [Sr]123(N4NC(=O)N=[N]4[Sr]([OH2]1)(N1NC(=O)N=[N]21)(N1NC(=O)N=N1)([OH2]3)([OH2])([OH2])([OH2])[OH2])(N1NC(=O)N=N1)([OH2])([OH2])([OH2])[OH2].O.O |
Title of publication | Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable |
Authors of publication | He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 11.2966 ± 0.0009 Å |
b | 14.7871 ± 0.0013 Å |
c | 6.9961 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1168.66 ± 0.16 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 58 |
Hermann-Mauguin space group symbol | P n n m |
Hall space group symbol | -P 2 2n |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0722 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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