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Information card for entry 7003194
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Coordinates | 7003194.cif |
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Original paper (by DOI) | HTML |
Common name | (5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20- bis(phenyl)porphyrinato) (tetrahydrofuran)zinc(ii) |
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Chemical name | [5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20-bis(phenyl)porphyrinato] (tetrahydrofuran)zinc(II) |
Formula | C52 H39.5 N5 O5.5 Zn |
Calculated formula | C52 H39.5 N5 O5.5 Zn |
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 | 12.884 ± 0.0008 Å |
b | 31.4296 ± 0.0019 Å |
c | 21.9485 ± 0.0013 Å |
α | 90° |
β | 101.676 ± 0.001° |
γ | 90° |
Cell volume | 8703.9 ± 0.9 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.2113 |
Residual factor for significantly intense reflections | 0.0959 |
Weighted residual factors for significantly intense reflections | 0.2344 |
Weighted residual factors for all reflections included in the refinement | 0.336 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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