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Information card for entry 4072930
Preview
| Coordinates | 4072930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H36 Fe P2 Si |
|---|---|
| Calculated formula | C34 H36 Fe P2 Si |
| SMILES | [Fe]123456([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([Si](C6)(C)C)[cH]2[cH]3[cH]4[cH]51 |
| Title of publication | Structural and Redox Properties of Novel Spirocyclic 1-Sila-3-ferracyclobutanes, [(η5-C5H4)Fe(L2)CH2SiMe2], L2= P−P (diphosphine) |
| Authors of publication | Kumar, Mukesh; Cervantes-Lee, Francisco; Sharma, Hemant K.; Pannell, Keith H. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 12 |
| Pages of publication | 3005 |
| a | 12.3293 ± 0.0017 Å |
| b | 12.9894 ± 0.0018 Å |
| c | 18.476 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2958.9 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178618 (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 4/07/29. |
4072930.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072930.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072930.cif |
| 46076 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072930 via cif-deposit CGI script. |
4072930.cif |
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Users of the data should acknowledge the original authors of the
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