Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4076430
Preview
| Coordinates | 4076430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 4a |
|---|---|
| Formula | C31 H55 Ca N3 O2 Si2 |
| Calculated formula | C31 H55 Ca N3 O2 Si2 |
| Title of publication | Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals |
| Authors of publication | Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 6 |
| Pages of publication | 2268 |
| a | 10.6913 ± 0.0009 Å |
| b | 15.342 ± 0.0011 Å |
| c | 22.2988 ± 0.0017 Å |
| α | 90° |
| β | 96.069 ± 0.004° |
| γ | 90° |
| Cell volume | 3637.1 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1008 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1303 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4076430.cif |
| 178653 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/64. |
4076430.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076430.cif |
| 51957 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076428, 4076429, 4076430, 4076431, 4076432, 4076433, 4076434 via cif-deposit CGI script. |
4076430.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.