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Information card for entry 7231474
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Coordinates | 7231474.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H7 B Cl N O2 |
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Calculated formula | C5 H7 B Cl N O2 |
Title of publication | Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors. |
Authors of publication | Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 37 |
Pages of publication | 24192 - 24200 |
a | 6.2062 ± 0.00005 Å |
b | 5.25334 ± 0.00004 Å |
c | 11.18373 ± 0.00009 Å |
α | 90° |
β | 105.503 ± 0.0008° |
γ | 90° |
Cell volume | 351.359 ± 0.005 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0136 |
Residual factor for significantly intense reflections | 0.0135 |
Weighted residual factors for significantly intense reflections | 0.0457 |
Weighted residual factors for all reflections included in the refinement | 0.0459 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.45 |
Diffraction radiation wavelength | 0.7107 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/7231474.html
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Users of the data should acknowledge the original authors of the
structural data.