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Information card for entry 4084092
Preview
Coordinates | 4084092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H19 B9 Co N |
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Calculated formula | C12 H19 B9 Co N |
SMILES | [CH]1234[C]567([Co]89%10%11%12%131([BH]1%142[BH]2%153[BH]345[BH]45%15[BH]%15%142[BH]291[BH]168[BH]734[BH]5%1521)[n]1[cH]%10[cH]%11[cH]%12[cH]%131)c1ccccc1 |
Title of publication | C−C Plasticity in Boron Chemistry: Modulation of the Cc···CcDistance in Mixed Pyrrolyl/Dicarbollide Complexes† |
Authors of publication | Llop, Jordi; Viñas, Clara; Teixidor, Francesc; Victori, Lluís; Kivekäs, Raikko; Sillanpää, Reijo |
Journal of publication | Organometallics |
Year of publication | 2001 |
Journal volume | 20 |
Journal issue | 19 |
Pages of publication | 4024 |
a | 10.889 ± 0.005 Å |
b | 11.444 ± 0.003 Å |
c | 13.026 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1623.2 ± 1.2 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0742 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1337 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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