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Information card for entry 4068249
Preview
Coordinates | 4068249.cif |
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Original paper (by DOI) | HTML |
Common name | 11.2CH2Cl2, N-215-1, 820mp |
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Formula | C37 H46 B Cl4 Ir N6 O12 |
Calculated formula | C36.67 H44 B Cl3.34 Ir N6 O12 |
Title of publication | Reaction of the Iridacyclopentadiene TpMe2Ir(C(R)C(R)C(R)C(R))(H2O) (R = CO2Me) with Alkynes |
Authors of publication | Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Mereiter, Kurt |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 172 |
a | 11.225 ± 0.002 Å |
b | 13.849 ± 0.003 Å |
c | 16.314 ± 0.003 Å |
α | 80.248 ± 0.004° |
β | 76.248 ± 0.004° |
γ | 70.208 ± 0.004° |
Cell volume | 2306.9 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1368 |
Residual factor for significantly intense reflections | 0.0779 |
Weighted residual factors for significantly intense reflections | 0.1267 |
Weighted residual factors for all reflections included in the refinement | 0.1454 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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