Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4318682
Preview
| Coordinates | 4318682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H68 Ba N2 O2 Si2 |
|---|---|
| Calculated formula | C38 H68 Ba N2 O2 Si2 |
| Title of publication | A Novel Group of Alkaline Earth Metal Amides: Syntheses and Characterization of M[N(2,6-iPr2C6H3)(SiMe3)]2(THF)2 (M = Mg, Ca, Sr, Ba) and the Linear, Two-Coordinate Mg[N(2,6-iPr2C6H3)(SiMe3)]2 |
| Authors of publication | Wilda Vargas; Ulrich Englich; Karin Ruhlandt-Senge |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5602 - 5608 |
| a | 20.5476 ± 0.0002 Å |
| b | 10.0353 ± 0.0002 Å |
| c | 20.902 ± 0.0004 Å |
| α | 90° |
| β | 101.67° |
| γ | 90° |
| Cell volume | 4220.93 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0573 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4318682.cif |
| 179266 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/86. |
4318682.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318682.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318682.cif |
| 15403 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318682 via cif-deposit CGI script. |
4318682.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.