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Information card for entry 7006422
Preview
Coordinates | 7006422.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H22 Fe N O8 P W |
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Calculated formula | C20 H22 Fe N O8 P W |
SMILES | [Fe]12345678([N]9([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[C]1(=[CH]2[CH]3=[C]49C)C)[c]1(P(=O)(OCC)OCC)[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Synthesis, structure and assessment of the cytotoxic properties of 2,5-dimethylazaferrocenyl phosphonates. |
Authors of publication | Kowalski, Konrad; Zakrzewski, Janusz; Long, Nicholas J.; Suwaki, Natsuko; Mann, David J.; White, Andrew J. P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 4 |
Pages of publication | 571 - 576 |
a | 6.9611 ± 0.0003 Å |
b | 13.1345 ± 0.0007 Å |
c | 14.2416 ± 0.0007 Å |
α | 115.429 ± 0.005° |
β | 95.965 ± 0.004° |
γ | 98.219 ± 0.004° |
Cell volume | 1143.81 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0416 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
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/7006422.html
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