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Information card for entry 7216594
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Coordinates | 7216594.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [CuL2m](BF4)2 |
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Chemical name | 1,2-Bis(amidino-O-methylurea)ethanecopper(II) tetrafluoroborate |
Formula | C8 H18 B2 Cu F8 N8 O2 |
Calculated formula | C8 H18 B2 Cu F8 N8 O2 |
SMILES | [Cu]123[N](CC[N]2=C(NC(=[NH]3)OC)N)=C(NC(=[NH]1)OC)N.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon |
Authors of publication | Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire |
Journal of publication | CrystEngComm |
Year of publication | 2002 |
Journal volume | 4 |
Journal issue | 108 |
Pages of publication | 638 |
a | 14.907 ± 0.003 Å |
b | 11.442 ± 0.002 Å |
c | 10.488 ± 0.002 Å |
α | 90° |
β | 94.78 ± 0.03° |
γ | 90° |
Cell volume | 1782.7 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0575 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.1331 |
Weighted residual factors for all reflections included in the refinement | 0.1398 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/7216594.html
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Users of the data should acknowledge the original authors of the
structural data.