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Information card for entry 4074285
Preview
| Coordinates | 4074285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H57 B18 Co O2 Sn |
|---|---|
| Calculated formula | C32 H57 B18 Co O2 Sn |
| SMILES | [Sn]12(c3c(cccc3C[O]2C(C)(C)C)C[O]1C(C)(C)C)(c1ccccc1)c1ccccc1.[Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1029[BH]294[BH]43%12[BH]3%13%14[BH]%121%15[BH]%11%102[BH]943%12)[CH]123[CH]495[BH]5%103[BH]3%112[BH]261[BH]168[BH]874[BH]49%10[BH]75%11[BH]321[BH]6847 |
| Title of publication | Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion |
| Authors of publication | Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 21 |
| Pages of publication | 5139 |
| a | 22.428 ± 0.0001 Å |
| b | 14.053 ± 0.0002 Å |
| c | 26.975 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8502 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178631 (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 4/07/42. |
4074285.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074285.cif |
| 48286 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074283, 4074284, 4074285 via cif-deposit CGI script. |
4074285.cif |
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