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Information card for entry 4080839
Preview
Coordinates | 4080839.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Complex_13 |
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Formula | C36 H39 B Ir N6 O4 P |
Calculated formula | C36 H39 B Ir N6 O4 P |
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 | 15.3955 ± 0.0008 Å |
b | 15.0565 ± 0.0008 Å |
c | 33.9742 ± 0.0017 Å |
α | 90° |
β | 103.987 ± 0.003° |
γ | 90° |
Cell volume | 7641.8 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080839.html
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Users of the data should acknowledge the original authors of the
structural data.