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Information card for entry 4313415
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Coordinates | 4313415.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ni(II) octa-(3-thienyl)tetraphenylporphyrin |
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Chemical name | Ni(II) 5,10,15,20-tetraphenyl-2,3,7,8,12,13-17,18-octakis(3- thienyl)porphyrin |
Formula | C78.46 H43.92 Cl7.71 N4 Ni S8 |
Calculated formula | C78.4667 H43.9 Cl7.518 N4 Ni S7.96667 |
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 | 23.1924 ± 0.0015 Å |
b | 23.1924 ± 0.0015 Å |
c | 82.412 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 44328 ± 6 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1724 |
Residual factor for significantly intense reflections | 0.1256 |
Weighted residual factors for significantly intense reflections | 0.3086 |
Weighted residual factors for all reflections included in the refinement | 0.3495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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