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Information card for entry 8102495
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| Coordinates | 8102495.cif |
|---|
| Formula | C26 H23 Cl2 F12 Fe2 N P2 |
|---|---|
| Calculated formula | C26 H23 Cl2 F12 Fe2 N P2 |
| Title of publication | Crystal structure of [bis(h5-cyclopentadienyl)-(h6:h6)-E-4,4'-dichlorostilbene]diiron(II) bis(hexafluorophosphate) — acetonitrile (1:1), [(C5H5)2(C14H10Cl2)Fe2][PF6]2 · CH3CN |
| Authors of publication | Michael Hummel; Volker Kahlenberg; Gerhard Laus; Peter Jaitner; Herwig Schottenberger |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 3 |
| Pages of publication | 503 |
| a | 13.3181 ± 0.0012 Å |
| b | 14.709 ± 0.0009 Å |
| c | 15.3689 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3010.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0724 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102495.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102495.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102495.cif |
| 13234 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102495 via cif-deposit CGI script. |
8102495.cif |
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Users of the data should acknowledge the original authors of the
structural data.