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Information card for entry 4126518
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Coordinates | 4126518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C Na O P |
---|---|
Calculated formula | C Na O P |
SMILES | [Na+].C([O-])#P |
Title of publication | Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus. |
Authors of publication | Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 8.5229 ± 0.0019 Å |
b | 8.5229 ± 0.0019 Å |
c | 7.178 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 451.55 ± 0.19 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 190 |
Hermann-Mauguin space group symbol | P -6 2 c |
Hall space group symbol | P -6c -2c |
Residual factor for all reflections | 0.0869 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.2004 |
Weighted residual factors for all reflections included in the refinement | 0.2103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201609 (current) | 2017-10-04 | cif/ Adding structures of 4126518 via cif-deposit CGI script. |
4126518.cif |
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Users of the data should acknowledge the original authors of the
structural data.