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Information card for entry 4307789
Preview
| Coordinates | 4307789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C14 H23 As B Cl N2 |
|---|---|
| Calculated formula | C14 H23 As B Cl N2 |
| SMILES | [As]1(Cl)N(B(N1C(C)(C)C)c1ccccc1)C(C)(C)C |
| Title of publication | New Bonding Modes for Boraamidinate Ligands in Heavy Group 15 Complexes: Fluxional Behavior of the 1:2 Complexes, LiM[PhB(NtBu)2]2 (M = As, Sb, Bi) |
| Authors of publication | Jari Konu; Maravanji S. Balakrishna; Tristram Chivers; Thomas W. Swaddle |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 2627 - 2636 |
| a | 6.0002 ± 0.0012 Å |
| b | 10.653 ± 0.002 Å |
| c | 13.411 ± 0.003 Å |
| α | 94.16 ± 0.03° |
| β | 96.76 ± 0.03° |
| γ | 99.49 ± 0.03° |
| Cell volume | 835.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4307789.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4307789.cif |
| 179115 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/77. |
4307789.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307789.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307789.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307789.cif |
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Users of the data should acknowledge the original authors of the
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