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Information card for entry 4071123
Preview
| Coordinates | 4071123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H47 Br Fe P2 |
|---|---|
| Calculated formula | C52 H47 Br Fe P2 |
| SMILES | [Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#Cc1c2ccccc2c(c2ccccc12)Br |
| Title of publication | Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group |
| Authors of publication | Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1912 |
| a | 28.4731 ± 0.0006 Å |
| b | 17.1844 ± 0.0003 Å |
| c | 21.2981 ± 0.0005 Å |
| α | 90° |
| β | 104.676 ± 0.001° |
| γ | 90° |
| Cell volume | 10081 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1283 |
| Residual factor for significantly intense reflections | 0.0835 |
| Weighted residual factors for significantly intense reflections | 0.2452 |
| Weighted residual factors for all reflections included in the refinement | 0.2826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178600 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11. |
4071123.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071123.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071123.cif |
| 43055 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071123 via cif-deposit CGI script. |
4071123.cif |
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Users of the data should acknowledge the original authors of the
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