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Information card for entry 4506850
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Coordinates | 4506850.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BTA.DMA.H2O-255 |
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Chemical name | benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate |
Formula | C17 H19 N O7 |
Calculated formula | C17 H19 N O7 |
Title of publication | Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers |
Authors of publication | Bhattacharya, Suman; Saha, Binoy K. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 4716 |
a | 8.4236 ± 0.0005 Å |
b | 13.6964 ± 0.0008 Å |
c | 14.6918 ± 0.0007 Å |
α | 90.012 ± 0.004° |
β | 102.972 ± 0.004° |
γ | 95.368 ± 0.005° |
Cell volume | 1644.14 ± 0.16 Å3 |
Cell temperature | 255 ± 2 K |
Ambient diffraction temperature | 255 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1125 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1395 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.7107 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/4506850.html
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