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Information card for entry 4323687
Preview
Coordinates | 4323687.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 10*BPh4 |
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Formula | C71 H68 B Cl Co N3 P3 |
Calculated formula | C71 H68 B Cl Co N3 P3 |
SMILES | [Co]12(Cl)([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[N]#CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC |
Title of publication | Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity |
Authors of publication | Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 5457 - 5469 |
a | 12.308 ± 0.003 Å |
b | 16.249 ± 0.005 Å |
c | 17.302 ± 0.004 Å |
α | 65.57 ± 0.02° |
β | 72.27 ± 0.02° |
γ | 81.95 ± 0.02° |
Cell volume | 3000.4 ± 1.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 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 | 0.0569 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for all reflections | 0.1085 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Goodness-of-fit parameter for all reflections | 1.042 |
Goodness-of-fit parameter for significantly intense reflections | 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/4323687.html
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