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Information card for entry 4080840
Preview
Coordinates | 4080840.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Complex_20 |
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Formula | C28 H24 B Ir N4 O |
Calculated formula | C28 H24 B Ir N4 O |
SMILES | [IrH]12([n]3cccc4c3n(cc4)[B]2(n2c3[n]1cccc3cc2)c1ccccc1)C#[O].c1ccc(C)cc1 |
Title of publication | Insight into the Hydrogen Migration Processes Involved in the Formation of Metal‒Borane Complexes: Importance of the Third Arm of the Scorpionate Ligand |
Authors of publication | Tsoureas, Nikolaos; Hamilton, Alex; Haddow, Mairi F.; Harvey, Jeremy N.; Orpen, A. Guy; Owen, Gareth R. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2840 |
a | 18.4965 ± 0.0004 Å |
b | 18.4965 ± 0.0004 Å |
c | 38.7777 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 11489.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0291 |
Residual factor for significantly intense reflections | 0.0213 |
Weighted residual factors for significantly intense reflections | 0.0425 |
Weighted residual factors for all reflections included in the refinement | 0.0436 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
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/4080840.html
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