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Information card for entry 4084238
Preview
Coordinates | 4084238.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C85 H80 Cl2 Fe N4 P4 Ru |
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Calculated formula | C85 H80 Cl2 Fe N4 P4 Ru |
Title of publication | From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch |
Authors of publication | Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 16 |
Pages of publication | 4209 |
a | 15.3752 ± 0.0007 Å |
b | 15.6268 ± 0.0008 Å |
c | 30.2427 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7266.3 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1151 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.1439 |
Weighted residual factors for all reflections included in the refinement | 0.1728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4084238.cif |
123105 | 2014-09-06 | cif/ Updating files of 4084236, 4084237, 4084238, 4084239 Original log message: Adding full bibliography for 4084236--4084239.cif. |
4084238.cif |
122161 | 2014-08-18 | cif/ Adding structures of 4084236, 4084237, 4084238, 4084239 via cif-deposit CGI script. |
4084238.cif |
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Users of the data should acknowledge the original authors of the
structural data.