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Information card for entry 7005466
Preview
Coordinates | 7005466.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H49 B F24 Mo N O4 P |
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Calculated formula | C66 H49 B F24 Mo N O4 P |
SMILES | [Mo]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([n]4ccccc4C=[O]1)(C#[O])(C#[O])[CH2]=[C]2(C3)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.O(CC)CC |
Title of publication | Pyridine-2-carboxaldehyde as ligand: synthesis and derivatization of carbonyl complexes. |
Authors of publication | Alvarez, Celedonio M.; García-Rodríguez, Raúl; Miguel, Daniel |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 32 |
Pages of publication | 3546 - 3554 |
a | 13.331 ± 0.005 Å |
b | 13.619 ± 0.006 Å |
c | 19.907 ± 0.008 Å |
α | 70.546 ± 0.007° |
β | 80.191 ± 0.008° |
γ | 89.759 ± 0.008° |
Cell volume | 3353 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1626 |
Weighted residual factors for all reflections included in the refinement | 0.1871 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 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/7005466.html
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Users of the data should acknowledge the original authors of the
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