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Information card for entry 4309356
Preview
| Coordinates | 4309356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | DippNAsCl trimer |
|---|---|
| Formula | C36 H51 As3 Cl3 N3 |
| Calculated formula | C36 H51 As3 Cl3 N3 |
| SMILES | [As]1(Cl)N([As](Cl)N([As](Cl)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers |
| Authors of publication | Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5897 - 5902 |
| a | 12.2049 ± 0.0014 Å |
| b | 21.386 ± 0.002 Å |
| c | 16.3283 ± 0.0019 Å |
| α | 90° |
| β | 111.852 ± 0.002° |
| γ | 90° |
| Cell volume | 3955.7 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| 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. |
4309356.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. |
4309356.cif |
| 179131 | 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 4/30/93. |
4309356.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309356.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309356.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309356.cif |
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Users of the data should acknowledge the original authors of the
structural data.