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Information card for entry 7035717
Preview
Coordinates | 7035717.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H27 Fe I3 Na O3 P S Zn |
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Calculated formula | C25 H27 Fe I3 Na O3 P S Zn |
SMILES | [Na+].[Zn](I)(I)(I)[P]([c]12[cH]3[Fe]4567891([c]1([cH]7[cH]6[cH]5[cH]41)CS(=O)(=O)C)[cH]2[cH]8[cH]39)(c1ccccc1)c1ccccc1.OC |
Title of publication | Ferrocenylmethylation reactions with a phosphinoferrocene betaine. |
Authors of publication | Zábranský, Martin; Císařová, Ivana; Štěpnička, Petr |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 32 |
Pages of publication | 14494 - 14506 |
a | 8.9509 ± 0.0002 Å |
b | 9.5006 ± 0.0002 Å |
c | 18.2554 ± 0.0004 Å |
α | 91.0698 ± 0.0009° |
β | 99.5953 ± 0.0008° |
γ | 95.3065 ± 0.0007° |
Cell volume | 1523.22 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0338 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0548 |
Weighted residual factors for all reflections included in the refinement | 0.0576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7035717.html
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Users of the data should acknowledge the original authors of the
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