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Information card for entry 4080734
Preview
Coordinates | 4080734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H33 Cl Cr Ni O5 P2 |
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Calculated formula | C25 H33 Cl Cr Ni O5 P2 |
SMILES | [Ni]12(Cl)[P](Oc3c2c(c[c]24[c]53[Cr]3672([cH]5[cH]3[cH]6[cH]47)(C#[O])(C#[O])C#[O])O[P]1(C(C)C)C(C)C)(C(C)C)C(C)C |
Title of publication | Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes |
Authors of publication | Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2661 |
a | 35.728 ± 0.001 Å |
b | 10.946 ± 0.001 Å |
c | 15.424 ± 0.001 Å |
α | 90° |
β | 109.585 ± 0.001° |
γ | 90° |
Cell volume | 5683 ± 0.7 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0616 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080734.html
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Users of the data should acknowledge the original authors of the
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