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Information card for entry 2011367
Preview
Coordinates | 2011367.cif |
---|---|
Structure factors | 2011367.hkl |
Original IUCr paper | HTML |
Chemical name | trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum |
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Formula | C60 H64 Cl2 Mo O2 P4 |
Calculated formula | C60 H64 Cl2 Mo O2 P4 |
SMILES | O1CCCC1.c1(ccccc1)[P]1(c2ccccc2)CC[P]([Mo]21(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1 |
Title of publication | Pentane and tetrahydrofuran solvates of <i>trans</i>-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']molybdenum(II) |
Authors of publication | Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 9 |
Pages of publication | e378 - e379 |
a | 11.3197 ± 0.0011 Å |
b | 13.4052 ± 0.0014 Å |
c | 17.455 ± 0.002 Å |
α | 90° |
β | 96.093 ± 0.011° |
γ | 90° |
Cell volume | 2633.7 ± 0.5 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
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 | 0.039 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2011367.html
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