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Information card for entry 4064615
Preview
Coordinates | 4064615.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H62 B4 Fe2 N4 Si2 |
---|---|
Calculated formula | C44 H62 B4 Fe2 N4 Si2 |
SMILES | B1(C(=C(B([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]31[cH]2[cH]7[cH]8[cH]93)N(C)C)[Si](C)(C)C)c1ccc(cc1)C1=C(B([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3(B1N(C)C)[cH]2[cH]7[cH]8[cH]93)N(C)C)[Si](C)(C)C)N(C)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 | 12.97 ± 0.002 Å |
b | 14.376 ± 0.002 Å |
c | 14.832 ± 0.002 Å |
α | 98.219 ± 0.002° |
β | 112.305 ± 0.002° |
γ | 110.796 ± 0.002° |
Cell volume | 2265.3 ± 0.6 Å3 |
Cell temperature | 167 ± 2 K |
Ambient diffraction temperature | 167 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0815 |
Residual factor for significantly intense reflections | 0.0651 |
Weighted residual factors for significantly intense reflections | 0.1428 |
Weighted residual factors for all reflections included in the refinement | 0.1511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.201 |
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/4064615.html
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Users of the data should acknowledge the original authors of the
structural data.