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Information card for entry 4070734
Preview
Coordinates | 4070734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H33 Ir2 N O4 S |
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Calculated formula | C23 H33 Ir2 N O4 S |
SMILES | [Ir]12345([Ir]6789(N1S(=O)(=O)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C#[O])([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#[O] |
Title of publication | Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex |
Authors of publication | Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 4 |
Pages of publication | 493 |
a | 8.504 ± 0.004 Å |
b | 17.302 ± 0.008 Å |
c | 17.943 ± 0.009 Å |
α | 90° |
β | 106.364 ± 0.005° |
γ | 90° |
Cell volume | 2533 ± 2 Å3 |
Cell temperature | 193.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4070734.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070734.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070734.cif |
42662 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070731, 4070732, 4070733, 4070734 via cif-deposit CGI script. |
4070734.cif |
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Users of the data should acknowledge the original authors of the
structural data.