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Information card for entry 4063230
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Coordinates | 4063230.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cp*2Ir2H(C4H3NMe) |
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Formula | C25 H37 Ir2 N |
Calculated formula | C25 H37 Ir2 N |
SMILES | [IrH]12345([Ir]6789([c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)[C]65N(C=CC=6)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C |
Title of publication | Activation of Sulfur- and Nitrogen-Containing Heterocycles by a Dinuclear Iridium Complex |
Authors of publication | David A. Vicic; William D. Jones |
Journal of publication | Organometallics |
Year of publication | 1999 |
Journal volume | 18 |
Pages of publication | 134 - 138 |
a | 8.4912 ± 0.0005 Å |
b | 14.1404 ± 0.0008 Å |
c | 10.301 ± 0.0006 Å |
α | 90° |
β | 104.93 ± 0.001° |
γ | 90° |
Cell volume | 1195.08 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0456 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for all reflections | 0.092 |
Weighted residual factors for significantly intense reflections | 0.0898 |
Goodness-of-fit parameter for all reflections | 1.011 |
Goodness-of-fit parameter for significantly intense reflections | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4063230.html
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structural data.