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Information card for entry 7036243
Preview
Coordinates | 7036243.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H38 B2 Fe P2 |
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Calculated formula | C28 H38 B2 Fe P2 |
SMILES | [Fe]12345678([c]9([PH](c%10ccc%11c%12c(ccc([P](C(C)C)(C(C)C)[BH3])c%10%12)CC%11)[BH3])[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts. |
Authors of publication | Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 1976 - 1986 |
a | 15.806 ± 0.005 Å |
b | 13.022 ± 0.004 Å |
c | 12.835 ± 0.004 Å |
α | 90° |
β | 94.825 ± 0.006° |
γ | 90° |
Cell volume | 2632.4 ± 1.4 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.1533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7036243.html
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