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Information card for entry 4068462
Preview
| Coordinates | 4068462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Di(η^5^-cyclopentadienyl)molybdenum-bis(bismuthdi(tert- butyldimethylsilanolat)) |
|---|---|
| Formula | C34 H70 Bi2 Mo O4 Si4 |
| Calculated formula | C34 H70 Bi2 Mo O4 Si4 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]167892345([cH]2[cH]8[cH]7[cH]6[cH]12)[Bi]([O]([Si](C)(C)C(C)(C)C)[Bi]9O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C |
| Title of publication | Opening of Bent Bi−C Bonds by Silanols To Give Stable Cp2Mo(μ-BiOR)2MoCp2Complexes |
| Authors of publication | Knispel, Christina; Limberg, Christian; Mehring, Michael |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 646 |
| a | 10.8274 ± 0.0011 Å |
| b | 12.1563 ± 0.0012 Å |
| c | 34.104 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4488.8 ± 0.8 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.091 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178574 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84. |
4068462.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068462.cif |
| 39777 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068462, 4068463, 4068464 via cif-deposit CGI script. |
4068462.cif |
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