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Information card for entry 4116951
Preview
Coordinates | 4116951.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H30 B F4 N2 P2 Pd S2 |
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Calculated formula | C36 H30 B F4 N2 P2 Pd S2 |
SMILES | [Pd]12(SC(=CS1)c1cnc3ccccc3n1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-] |
Title of publication | Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates |
Authors of publication | Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1997 |
Journal volume | 119 |
Pages of publication | 3311 - 3316 |
a | 28.596 ± 0.005 Å |
b | 9.0299 ± 0.0014 Å |
c | 26.184 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6761.2 ± 1.8 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 8 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1121 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections | 0.1861 |
Weighted residual factors for significantly intense reflections | 0.1646 |
Goodness-of-fit parameter for all reflections | 1.078 |
Goodness-of-fit parameter for significantly intense reflections | 1.118 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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