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Information card for entry 4517051
Preview
Coordinates | 4517051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H42 B20 Cl2 Co N2 O4 |
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Calculated formula | C18 H42 B20 Cl2 Co N2 O4 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]379([CH]34%11[BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)[C@H]1c2cccc[n]2[Co]2([OH]1)(Cl)([n]1c([C@H]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[CH]569[BH]697[BH]78%10[BH]8%113[BH]3%124[BH]%1356[BH]9783)[OH]2)cccc1)Cl.CO.CO.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]379([CH]34%11[BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)[C@@H]1c2cccc[n]2[Co]2([OH]1)(Cl)([n]1c([C@@H]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[CH]569[BH]697[BH]78%10[BH]8%113[BH]3%124[BH]%1356[BH]9783)[OH]2)cccc1)Cl.CO.CO |
Title of publication | Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes |
Authors of publication | Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 5720 |
a | 18.545 ± 0.004 Å |
b | 13.04 ± 0.003 Å |
c | 14.563 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3521.7 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.0973 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
Diffraction radiation wavelength | 0.71075 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/4517051.html
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