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Information card for entry 7006315
Preview
Coordinates | 7006315.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H32 I O P2 Rh |
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Calculated formula | C45 H32 I O P2 Rh |
SMILES | [Rh]1(I)([P](c2c(c3ccccc3cc2)c2c([P]1(c1ccccc1)c1ccccc1)ccc1c2cccc1)(c1ccccc1)c1ccccc1)C#[O] |
Title of publication | Evaluation of C4 diphosphine ligands in rhodium catalysed methanol carbonylation under a syngas atmosphere: synthesis, structure, stability and reactivity of rhodium(I) carbonyl and rhodium(III) acetyl intermediates. |
Authors of publication | Lamb, Gareth; Clarke, Matthew; Slawin, Alexandra M. Z.; Williams, Bruce; Key, Lesley |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 47 |
Pages of publication | 5582 - 5589 |
a | 11.1576 ± 0.0012 Å |
b | 11.5084 ± 0.0016 Å |
c | 14.6153 ± 0.0015 Å |
α | 84.203 ± 0.007° |
β | 71.704 ± 0.007° |
γ | 89.593 ± 0.01° |
Cell volume | 1772.1 ± 0.4 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0645 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.0781 |
Weighted residual factors for all reflections included in the refinement | 0.0865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 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/7006315.html
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