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Information card for entry 4064783
Preview
| Coordinates | 4064783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H12 Al2 B12 Cl12 |
|---|---|
| Calculated formula | C4 H12 Al2 B12 Cl12 |
| SMILES | [B]12345[B]678([B]9%10%11([B]%12%136(Cl)[B]6%14%159[B]9%16%17([B]%18%106([B]4%16([B]439([B]27%12([B]%13%14%174Cl)Cl)Cl)([B]58%11%18Cl)Cl)Cl)[Cl][Al](C)(C)[Cl]%15)Cl)[Cl][Al](C)(C)[Cl]1 |
| Title of publication | Cationic Dialkyl Metal Compounds of Group 13 Elements (E = Al, Ga, In) Stabilized by the Weakly Coordinating Dianion [B12Cl12]2‒ |
| Authors of publication | Kessler, Mathias; Knapp, Carsten; Zogaj, Ardiana |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 14 |
| Pages of publication | 3786 |
| a | 8.9067 ± 0.0003 Å |
| b | 10.4467 ± 0.0004 Å |
| c | 14.0331 ± 0.0005 Å |
| α | 90° |
| β | 95.59 ± 0.002° |
| γ | 90° |
| Cell volume | 1299.51 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4064783.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064783.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064783.cif |
| 33042 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064782, 4064783 via cif-deposit CGI script. |
4064783.cif |
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