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Information card for entry 4069413
Preview
Coordinates | 4069413.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H64 N4 P2 Pd |
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Calculated formula | C60 H64 N4 P2 Pd |
SMILES | c1(ccccc1)P1(c2ccccc2)=[N](c2ccc(cc2)C(C)C)[Pd]2(N1c1ccc(cc1)C(C)C)[N](=P(c1ccccc1)(c1ccccc1)N2c1ccc(cc1)C(C)C)c1ccc(cc1)C(C)C |
Title of publication | Synthesis of Aminoiminophosphoranate Complexes of Palladium and Platinum and X-ray Diffractional Investigation of the Weak C−H···Pd Interactions Affecting the Geometry of the PdNPN Metallacycles |
Authors of publication | Peganova, Tat’yana A.; Valyaeva, Anna V.; Kalsin, Alexander M.; Petrovskii, Pavel V.; Borissova, Alexandra O.; Lyssenko, Konstantin A.; Ustynyuk, Nikolai A. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 10 |
Pages of publication | 3021 |
a | 9.3444 ± 0.0002 Å |
b | 11.5954 ± 0.0002 Å |
c | 12.9651 ± 0.0002 Å |
α | 85.553 ± 0.001° |
β | 70.253 ± 0.001° |
γ | 79.469 ± 0.001° |
Cell volume | 1299.72 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0822 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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