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Information card for entry 7038191
Preview
Coordinates | 7038191.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C59 H48 Fe N O7 P |
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Calculated formula | C59 H48 Fe N O7 P |
SMILES | [Fe]1234([P]5(N(C)C)Oc6ccc7ccccc7c6c6c7ccccc7ccc6O5)([C]5(=O)[C]1(=[C]12[C@@H](OCc2ccccc2)CC[C@H](OCc2ccccc2)[C]31=[C]45c1ccccc1)c1ccccc1)(C#[O])C#[O] |
Title of publication | Iron cyclopentadienone complexes derived from C2-symmetric bis-propargylic alcohols; preparation and applications to catalysis. |
Authors of publication | Hodgkinson, Roy; Del Grosso, Alessandro; Clarkson, Guy; Wills, Martin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 9 |
Pages of publication | 3992 - 4005 |
a | 10.35105 ± 0.00007 Å |
b | 19.11058 ± 0.00014 Å |
c | 24.09731 ± 0.00016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4766.8 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.039 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.1006 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7038191.html
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