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Information card for entry 2237171
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| Coordinates | 2237171.cif |
|---|---|
| Structure factors | 2237171.hkl |
| Original IUCr paper | HTML |
| Common name | 1,1'-bis(tert-butyldimethylsilyl)ferrocene |
|---|---|
| Chemical name | 1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene |
| Formula | C22 H38 Fe Si2 |
| Calculated formula | C22 H38 Fe Si2 |
| SMILES | C[Si](C)([c]12[Fe]3456789([cH]([cH]8[cH]26)[cH]13)[cH]1[cH]9[cH]7[c]5([cH]41)[Si](C)(C)C(C)(C)C)C(C)(C)C |
| Title of publication | 1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene |
| Authors of publication | Abri, Abdolreza; Soltani, Behzad; Ziegler, Christopher J.; Engle, James T.; Kia, Reza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m46 |
| a | 7.1282 ± 0.0006 Å |
| b | 12.1466 ± 0.001 Å |
| c | 26.363 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2282.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/71. |
2237171.cif 2237171.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237171.cif 2237171.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237171.cif 2237171.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237171.cif 2237171.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237171.cif 2237171.hkl |
| 73392 | 2013-02-20 | cif/ Adding structures of 2237171 via cif-deposit CGI script. |
2237171.cif |
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Users of the data should acknowledge the original authors of the
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