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Information card for entry 4086421
Preview
Coordinates | 4086421.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H72 B2 Cl8 F8 Ir2 N4 P4 |
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Calculated formula | C58 H72 B2 Cl8 F8 Ir2 N4 P4 |
Title of publication | Oxidative Addition of the N‒H Bond of Ammonia to Iridium Bis(phosphane) Complexes: A Combined Experimental and Theoretical Study |
Authors of publication | Betoré, M. Pilar; Casado, Miguel A.; García-Orduña, Pilar; Lahoz, Fernando J.; Polo, Víctor; Oro, Luis A. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 5 |
Pages of publication | 720 |
a | 11.1147 ± 0.0006 Å |
b | 12.9222 ± 0.0007 Å |
c | 14.0055 ± 0.0007 Å |
α | 102.598 ± 0.001° |
β | 105.229 ± 0.001° |
γ | 105.141 ± 0.001° |
Cell volume | 1782.56 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0456 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0906 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4086421.html
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Users of the data should acknowledge the original authors of the
structural data.