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Information card for entry 4064611
Preview
Coordinates | 4064611.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H26 B2 Fe N2 |
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Calculated formula | C20 H26 B2 Fe N2 |
SMILES | [Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)B(N(C)C)C(=C(B([c]15[cH]6[cH]7[cH]8[cH]91)N(C)C)C#CC)C |
Title of publication | Diboration of Dialkynes with [2]Boraferrocenophanes |
Authors of publication | Bauer, Florian; Braunschweig, Holger; Gruss, Katrin; Kupfer, Thomas |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 10 |
Pages of publication | 2869 |
a | 8.7429 ± 0.0002 Å |
b | 8.8365 ± 0.0002 Å |
c | 13.2645 ± 0.0004 Å |
α | 108.079 ± 0.001° |
β | 105.66 ± 0.001° |
γ | 92.53 ± 0.001° |
Cell volume | 928.81 ± 0.04 Å3 |
Cell temperature | 101 ± 2 K |
Ambient diffraction temperature | 101 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0693 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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