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Information card for entry 4313416
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Coordinates | 4313416.cif |
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Original paper (by DOI) | HTML |
Common name | Ni(II) di-(3-thienyl)tetraphenylporphyrin |
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Chemical name | Ni(II) 5,10,15,20-tetraphenyl-2,3-bis(3-thienyl)porphyrin |
Formula | C52 H32 N4 Ni S2 |
Calculated formula | C52 H31.12 N4 Ni S2 |
Title of publication | Unusual Aryl-Porphyrin Rotational Barriers in Peripherally Crowded Porphyrins |
Authors of publication | Craig J. Medforth; Raid E. Haddad; Cinzia M. Muzzi; Neal R. Dooley; Laurent Jaquinod; David C. Shyr; Daniel J. Nurco; Marilyn M. Olmstead; Kevin M. Smith; Jian-Guo Ma; John A. Shelnutt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2227 - 2241 |
a | 24.28 ± 0.001 Å |
b | 15.3387 ± 0.0006 Å |
c | 10.7881 ± 0.0004 Å |
α | 90° |
β | 105.808 ± 0.001° |
γ | 90° |
Cell volume | 3865.8 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0728 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1453 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313416.html
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