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Information card for entry 4509503
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Coordinates | 4509503.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4,4'-bipyrazolium trifluoroberyllate |
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Formula | C6 H8 Be2 F6 N4 |
Calculated formula | C6 H8 Be2 F6 N4 |
SMILES | c1c(c[nH+][nH]1)c1c[nH][nH+]c1.F[Be](F)[F][Be](F)(F)F |
Title of publication | Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts |
Authors of publication | Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 6 |
Pages of publication | 2895 |
a | 14.7142 ± 0.0011 Å |
b | 4.6255 ± 0.0004 Å |
c | 14.4131 ± 0.0011 Å |
α | 90° |
β | 102.111 ± 0.002° |
γ | 90° |
Cell volume | 959.13 ± 0.13 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0379 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0924 |
Weighted residual factors for all reflections included in the refinement | 0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/4509503.html
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