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Information card for entry 7214571
Preview
Coordinates | 7214571.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | diammonium tetrabromocuprate dihydrate |
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Formula | Br4 Cu H12 N2 O2 |
Calculated formula | Br4 Cu H12 N2 O2 |
SMILES | [Cu]([OH2])([OH2])(Br)Br.[NH4+].[NH4+].[Br-].[Br-] |
Title of publication | Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal |
Authors of publication | Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 37 |
Pages of publication | 7498 |
a | 7.9005 ± 0.0011 Å |
b | 7.9005 ± 0.0011 Å |
c | 8.1982 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 511.71 ± 0.14 Å3 |
Cell temperature | 120 ± 0.2 K |
Ambient diffraction temperature | 120 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 113 |
Hermann-Mauguin space group symbol | P -4 21 m |
Hall space group symbol | P -4 2ab |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.0175 |
Weighted residual factors for significantly intense reflections | 0.0469 |
Weighted residual factors for all reflections included in the refinement | 0.0483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7214571.html
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