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Information card for entry 7010483
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Coordinates | 7010483.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H30 B Cl Cu N6 O15 |
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Calculated formula | C21 H30 B Cl Cu N6 O15.318 |
Title of publication | New H-bond accepting tris(pyrazolyl)borates: stabilization of metal aquo species as models for the vicinal oxygen chelate enzyme superfamily |
Authors of publication | Hammes, Brian S.; Carrano, Mary W.; Carrano, Carl J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 9 |
Pages of publication | 1448 |
a | 12.106 ± 0.003 Å |
b | 12.6519 ± 0.0011 Å |
c | 13.012 ± 0.002 Å |
α | 106.982 ± 0.011° |
β | 108.75 ± 0.03° |
γ | 103.97 ± 0.02° |
Cell volume | 1676.7 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0747 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for all reflections | 0.1979 |
Weighted residual factors for significantly intense reflections | 0.1766 |
Goodness-of-fit parameter for all reflections | 1.131 |
Goodness-of-fit parameter for significantly intense reflections | 1.146 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7010483.html
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