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Information card for entry 4065098
Preview
Coordinates | 4065098.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1b |
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Formula | C74 H120 I2 P4 Pt2 |
Calculated formula | C74 H120 I2 P4 Pt2 |
SMILES | C(#Cc1c2cc3ccccc3cc2c(C#C[Pt](I)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC)c2cc3ccccc3cc12)[Pt]([P](CCCC)(CCCC)CCCC)(I)[P](CCCC)(CCCC)CCCC |
Title of publication | Pushing Pentacene-Based Fluorescence to the Near-Infrared Region by Platination |
Authors of publication | Nguyen, Minh-Hai; Yip, John H. K. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 23 |
Pages of publication | 6383 |
a | 8.9087 ± 0.0012 Å |
b | 15.686 ± 0.002 Å |
c | 27.615 ± 0.004 Å |
α | 90° |
β | 97.571 ± 0.004° |
γ | 90° |
Cell volume | 3825.3 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections included in the refinement | 0.072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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