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Information card for entry 7003195
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| Coordinates | 7003195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20- bis(phenyl)porphyrinato) copper(ii) |
|---|---|
| Chemical name | [5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20-bis(phenyl)porphyrinato] copper(II) |
| Formula | C47 H29 Cu N5 O4.25 |
| Calculated formula | C47 H29 Cu N5 O4.25 |
| Title of publication | Structural and photophysical studies of trans-AB2C-substituted porphyrin ligands and their zinc and copper complexes |
| Authors of publication | Heinze, Katja; Reinhart, Anja |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 4 |
| Pages of publication | 469 - 480 |
| a | 10.0786 ± 0.0008 Å |
| b | 12.1933 ± 0.001 Å |
| c | 16.6574 ± 0.0013 Å |
| α | 68.827 ± 0.001° |
| β | 75.011 ± 0.001° |
| γ | 82.7 ± 0.002° |
| Cell volume | 1842.6 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1006 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1886 |
| Weighted residual factors for all reflections included in the refinement | 0.2065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179735 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/31. |
7003195.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003195.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003195.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003195.cif |
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