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Information card for entry 4341342
Preview
| Coordinates | 4341342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H52 As2 N2 |
|---|---|
| Calculated formula | C50 H52 As2 N2 |
| SMILES | [As]123[As](N1c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(N2c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C=C3 |
| Title of publication | A new class of azadipnictiridines generated by an unusual rearrangement reaction. |
| Authors of publication | Hinz, Alexander; Schulz, Axel; Seidel, Wolfram W.; Villinger, Alexander |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 11682 - 11690 |
| a | 12.6202 ± 0.0011 Å |
| b | 21.1556 ± 0.0017 Å |
| c | 16.0917 ± 0.0014 Å |
| α | 90° |
| β | 108.018 ± 0.005° |
| γ | 90° |
| Cell volume | 4085.6 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0873 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179516 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/13. |
4341342.cif |
| 126971 | 2014-11-12 | cif/ Updating files of 4341335, 4341336, 4341337, 4341338, 4341339, 4341340, 4341341, 4341342, 4341343, 4341344 Original log message: Adding full bibliography for 4341335--4341344.cif. |
4341342.cif |
| 125600 | 2014-10-21 | cif/ Adding structures of 4341335, 4341336, 4341337, 4341338, 4341339, 4341340, 4341341, 4341342, 4341343, 4341344 via cif-deposit CGI script. |
4341342.cif |
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Users of the data should acknowledge the original authors of the
structural data.