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Information card for entry 1555286
Preview
Coordinates | 1555286.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H39 N P2 W |
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Calculated formula | C37 H39 N P2 W |
SMILES | [W]12345([P](Cc6[n]2c(ccc6)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([CH2]=[CH2]3)([CH2]=[CH2]4)[CH2]=[CH2]5 |
Title of publication | Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands |
Authors of publication | Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto |
Journal of publication | Chemical Science |
Year of publication | 2019 |
Journal volume | 10 |
Journal issue | 37 |
Pages of publication | 8541 |
a | 13.5747 ± 0.0004 Å |
b | 14.527 ± 0.0004 Å |
c | 15.6334 ± 0.0005 Å |
α | 90° |
β | 103.04 ± 0.002° |
γ | 90° |
Cell volume | 3003.4 ± 0.16 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0642 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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