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Information card for entry 4307795
Preview
| Coordinates | 4307795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H56 As B2 Li N4 O |
|---|---|
| Calculated formula | C32 H56 As B2 Li N4 O |
| SMILES | [As]12[N](B(N1C(C)(C)C)c1ccccc1)([Li]([O](CC)CC)N(B(N2C(C)(C)C)c1ccccc1)C(C)(C)C)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 | 10.05 ± 0.002 Å |
| b | 10.148 ± 0.002 Å |
| c | 18.845 ± 0.004 Å |
| α | 82.92 ± 0.03° |
| β | 84.57 ± 0.03° |
| γ | 66.12 ± 0.03° |
| Cell volume | 1741.9 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4307795.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. |
4307795.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307795.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307795.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307795.cif |
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Users of the data should acknowledge the original authors of the
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