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Information card for entry 7007866
Preview
Coordinates | 7007866.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1b |
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Formula | C43 H41 B11 Cl6 F Ir P2 |
Calculated formula | C43 H41 B11 Cl6 F Ir P2 |
SMILES | [Ir]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cl][B]2345[BH]678[CH]9%10%11[BH]%12%136[BH]6%14%11[BH]%11%15%10[BH]279[B]24%11(Cl)[B]46%15(Cl)[B]6%13%14(Cl)[B]38%12([Cl]1)[B]5246Cl.c1(ccccc1)F |
Title of publication | The role of halogenated carborane monoanions in olefin hydrogenation catalysed by cationic iridium phosphine complexes. |
Authors of publication | Moxham, Gemma L.; Douglas, Thomas M.; Brayshaw, Simon K.; Kociok-Köhn, Gabriele; Lowe, John P.; Weller, Andrew S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 46 |
Pages of publication | 5492 - 5505 |
a | 35.046 ± 0.004 Å |
b | 13.018 ± 0.0017 Å |
c | 23.823 ± 0.003 Å |
α | 90° |
β | 97.571 ± 0.008° |
γ | 90° |
Cell volume | 10774 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.2923 |
Residual factor for significantly intense reflections | 0.1691 |
Weighted residual factors for significantly intense reflections | 0.3706 |
Weighted residual factors for all reflections included in the refinement | 0.4497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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