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Information card for entry 7015669
Preview
Coordinates | 7015669.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H44 Cl2 Fe2 Hg N2 P2 |
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Calculated formula | C54 H44 Cl2 Fe2 Hg N2 P2 |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)c1ccccn1)[P](c1ccccc1)(c1ccccc1)[Hg](Cl)(Cl)[P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)c1ccccn1)(c1ccccc1)c1ccccc1 |
Title of publication | The coordination behaviour of ferrocene-based pyridylphosphine ligands towards Zn(II), Cd(II) and Hg(II). |
Authors of publication | Siemeling, Ulrich; Klemann, Thorsten; Bruhn, Clemens; Schulz, Jiří; Štěpnička, Petr |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 17 |
Pages of publication | 4722 - 4740 |
a | 17.1944 ± 0.0005 Å |
b | 15.4843 ± 0.0005 Å |
c | 17.6894 ± 0.0005 Å |
α | 90° |
β | 92.045 ± 0.002° |
γ | 90° |
Cell volume | 4706.7 ± 0.2 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/7015669.html
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Users of the data should acknowledge the original authors of the
structural data.