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Information card for entry 4316519
Preview
Coordinates | 4316519.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C128 H44 Co N4 |
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Calculated formula | C128 H44 Co N4 |
SMILES | c12ccc3=C(c4n5[Co]6([n]23)n2c(=C1c1ccccc1)c(c1ccccc1)c(c2=C(c1[n]6c(=C(c5c(c2ccccc2)c4c2ccccc2)c2ccccc2)cc1)c1ccccc1)c1ccccc1)c1ccccc1.c12c3c4c5c6c7c3c3c8c1c1c9c%10c%11c%12c1c1c2c4c2c4c1c%12c1c%12c%11c%11c%10c%10c(c89)c8c3c7c3c7c6c6c5c2c2c4c1c1c%12c4c%11c5c%10c8c3c3c7c7c6c2c1c7c4c53 |
Title of publication | Porphyrin-Fullerene, C60, Cocrystallates: Influence of C60 on the Porphyrin Ring Conformation |
Authors of publication | P. Bhyrappa; K. Karunanithi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 8389 - 8400 |
a | 28.27 ± 0.002 Å |
b | 12.2664 ± 0.0008 Å |
c | 22.0499 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7646.3 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 63 |
Hermann-Mauguin space group symbol | C m c m |
Hall space group symbol | -C 2c 2 |
Residual factor for all reflections | 0.0909 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.1856 |
Weighted residual factors for all reflections included in the refinement | 0.2141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.261 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4316519.html
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Users of the data should acknowledge the original authors of the
structural data.