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Information card for entry 4310236
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| Coordinates | 4310236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis[trans,cis,cis-dichloro-dicarbonyl- bis(5,10-bis(3'-pyridyl)-15,20-diphenyl-porphyrin)- -ruthenium(II)] n-hexane chloroform solvate |
|---|---|
| Formula | C99 H79 Cl10 N12 O4 Ru2 |
| Calculated formula | C99 H79 Cl10 N12 O4 Ru2 |
| Title of publication | Pyridylporphyrin Metallacycles with a Slipped Cofacial Geometry: Spectroscopic, X-ray, and Photophysical Characterization |
| Authors of publication | Elisabetta Iengo; Ennio Zangrando; Marco Bellini; Enzo Alessio; Anna Prodi; Claudio Chiorboli; Franco Scandola |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 9752 - 9762 |
| a | 19.22 ± 0.005 Å |
| b | 17.341 ± 0.005 Å |
| c | 15.145 ± 0.004 Å |
| α | 90° |
| β | 107.72 ± 0.03° |
| γ | 90° |
| Cell volume | 4808 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0938 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.2455 |
| Weighted residual factors for all reflections included in the refinement | 0.2557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179141 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/02. |
4310236.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310236.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310236.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310236.cif |
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Users of the data should acknowledge the original authors of the
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