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Information card for entry 1555285
Preview
Coordinates | 1555285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H39 Mo N P2 |
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Calculated formula | C37 H39 Mo N P2 |
SMILES | c1(ccccc1)[P]1(c2ccccc2)Cc2cccc3[n]2[Mo]2451([CH2]=[CH2]2)([CH2]=[CH2]4)([CH2]=[CH2]5)[P](C3)(c1ccccc1)c1ccccc1 |
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 | 10.994 ± 0.006 Å |
b | 13.807 ± 0.007 Å |
c | 23.317 ± 0.01 Å |
α | 90° |
β | 97.29 ± 0.03° |
γ | 90° |
Cell volume | 3511 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 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 | 0.0422 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.065 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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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