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Information card for entry 4320332
Preview
| Coordinates | 4320332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 00139 |
|---|---|
| Formula | C48 H52 Cl2 Ir N O3 Sn2 |
| Calculated formula | C48 H52 Cl2 Ir N O3 Sn2 |
| SMILES | [Ir]([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].[N+](CC)(CC)(CC)CC.ClCCl |
| Title of publication | Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1 |
| Authors of publication | Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5279 - 5284 |
| a | 23.933 ± 0.002 Å |
| b | 9.858 ± 0.001 Å |
| c | 20.785 ± 0.002 Å |
| α | 90° |
| β | 105.913 ± 0.002° |
| γ | 90° |
| Cell volume | 4715.9 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179306 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03. |
4320332.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320332.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320332.cif |
| 17236 | 2011-04-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4320332 via cif-deposit CGI script. |
4320332.cif |
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