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Information card for entry 4323383
Preview
Coordinates | 4323383.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis[hydrotris(3-phenylpyrazol-1-yl)borato]cobalt(II) |
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Formula | C54 H44 B2 Co N12 |
Calculated formula | C54 H44 B2 Co N12 |
SMILES | [Co]123([n]4n([BH](n5[n]1c(cc5)c1ccccc1)n1[n]2c(cc1)c1ccccc1)ccc4c1ccccc1)[n]1n([BH](n2[n]3c(cc2)c2ccccc2)n2nc(cc2)c2ccccc2)ccc1c1ccccc1 |
Title of publication | Cobalt as a Probe for Zinc in Metalloenzyme Model Compounds? A Comparison of Spectroscopic Features and Coordination Geometry of Four- and Five-Coordinate Complexes. Crystal and Molecular Structures of [Co(η^3^-Tp^Ph^)(η^2^-Tp^Ph^)], [(η^3^-Tp^Ph^)Zn(anthranilate)], and [(η^3^-Tp^Ph^)M(η^2^-acac)] (Tp^Ph^ = Hydrotris(3-phenylpyrazol-1-yl)borate, acac = Pentane-2,4-dionate, and M = Zn, Co) |
Authors of publication | Andreas Kremer-Aach; Wolfgang Kläui; Ralf Bell; Angela Strerath; Hartmut Wunderlich; Dietrich Mootz |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 1552 - 1563 |
a | 10.69 ± 0.005 Å |
b | 34.243 ± 0.015 Å |
c | 12.923 ± 0.004 Å |
α | 90° |
β | 96.17 ± 0.03° |
γ | 90° |
Cell volume | 4703 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0816 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for all reflections | 0.2197 |
Weighted residual factors for significantly intense reflections | 0.099 |
Goodness-of-fit parameter for all reflections | 0.961 |
Goodness-of-fit parameter for significantly intense reflections | 1.049 |
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/4323383.html
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