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Information card for entry 4089575
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Coordinates | 4089575.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 2b |
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Formula | C28 H48 Li2 P2 |
Calculated formula | C28 H48 Li2 P2 |
SMILES | [c]123[cH]4[cH]5[cH]6[cH]1[Li]2456C[P+]([c]12[cH]4[cH]5[cH]6[cH]1[Li]2456C[P+]3(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes |
Authors of publication | Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 18 |
Pages of publication | 5082 |
a | 8.0778 ± 0.0008 Å |
b | 9.0873 ± 0.0009 Å |
c | 10.5086 ± 0.001 Å |
α | 88.227 ± 0.008° |
β | 76.622 ± 0.008° |
γ | 70.553 ± 0.008° |
Cell volume | 706.75 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0729 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.847 |
Diffraction radiation wavelength | 0.71069 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/4089575.html
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structural data.