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Information card for entry 2006345
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Coordinates | 2006345.cif |
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Original IUCr paper | HTML |
Common name | Strontiumnitratoacetate-Hemitrihydrate |
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Formula | C2 H6 N O6.5 Sr |
Calculated formula | C2 H6 N O6.5 Sr |
SMILES | [Sr+2].[O-]C(=O)C.N(=O)(=O)[O-].O.O |
Title of publication | Strontium Acetate Nitrate Trihydrate, [Sr~2~(CH~3~COO)~2~(NO~3~)~2~(H~2~O)~3~] |
Authors of publication | Lengauer, Christian L.; Giester, Gerald |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 7 |
Pages of publication | 870 - 872 |
a | 7.5893 ± 0.0004 Å |
b | 7.9361 ± 0.0005 Å |
c | 12.793 ± 0.0007 Å |
α | 104.427 ± 0.004° |
β | 95.662 ± 0.004° |
γ | 90.264 ± 0.004° |
Cell volume | 742.24 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0484 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for all reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Goodness-of-fit parameter for all reflections | 1.043 |
Goodness-of-fit parameter for significantly intense reflections | 1.113 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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