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Information card for entry 7016800
Preview
Coordinates | 7016800.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Cp*Rh(C,NH2)I]I (6) |
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Formula | C27.5 H41 Cl11 I2 N3 Rh |
Calculated formula | C22 H30 I2 N3 Rh |
SMILES | [I-].[Rh]12345(I)([NH2]c6c(N7C=1N(C=C7)C(C)C)cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | Variable coordination of amine functionalised N-heterocyclic carbene ligands to Ru, Rh and Ir: C-H and N-H activation and catalytic transfer hydrogenation. |
Authors of publication | Cross, Warren B.; Daly, Christopher G.; Boutadla, Youcef; Singh, Kuldip |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 38 |
Pages of publication | 9722 - 9730 |
a | 9.43 ± 0.003 Å |
b | 11.745 ± 0.004 Å |
c | 29.671 ± 0.01 Å |
α | 89.104 ± 0.008° |
β | 86.111 ± 0.008° |
γ | 75.463 ± 0.007° |
Cell volume | 3173.7 ± 1.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1193 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.2165 |
Weighted residual factors for all reflections included in the refinement | 0.2301 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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