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Information card for entry 7241326
Preview
Coordinates | 7241326.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H20 Br8 N4 O12 |
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Calculated formula | C28 H20 Br8 N4 O12 |
Title of publication | Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis |
Authors of publication | Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 9.0292 ± 0.001 Å |
b | 9.4163 ± 0.0011 Å |
c | 12.2764 ± 0.0014 Å |
α | 108.671 ± 0.002° |
β | 108.502 ± 0.002° |
γ | 93.051 ± 0.002° |
Cell volume | 923.69 ± 0.18 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.0348 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7241326.html
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