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Information card for entry 7015678
Preview
| Coordinates | 7015678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H49 Br2 Cl3 Fe2 Hg N2 P2 |
|---|---|
| Calculated formula | C57 H49 Br2 Cl3 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)Cc1ncccc1)[P](c1ccccc1)(c1ccccc1)[Hg]([P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)Cc1ccccn1)(c1ccccc1)c1ccccc1)(Br)Br.C(Cl)(Cl)Cl |
| 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 | 13.7805 ± 0.0006 Å |
| b | 40.4138 ± 0.0016 Å |
| c | 19.15 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10665.1 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 45 |
| Hermann-Mauguin space group symbol | I b a 2 |
| Hall space group symbol | I 2 -2c |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015678.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015678.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015678.cif |
| 21216 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015660, 7015661, 7015662, 7015663, 7015664, 7015665, 7015666, 7015667, 7015668, 7015669, 7015670, 7015671, 7015672, 7015673, 7015674, 7015675, 7015676, 7015677, 7015678, 7015679, 7015680 via cif-deposit CGI script. |
7015678.cif |
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