Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7030454
Preview
| Coordinates | 7030454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H40 Cr N2 |
|---|---|
| Calculated formula | C24 H40 Cr N2 |
| SMILES | n12[c]3([cH]4[cH]5[c]1(C(C)(C)C)[Cr]16782345n2[c]1([cH]6[cH]7[c]82C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Title of publication | Coordination chemistry of sterically encumbered pyrrolyl ligands to chromium(ii): mono(pyrrolyl)chromium and diazachromocene formation. |
| Authors of publication | Kreye, Markus; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 24 |
| Pages of publication | 9052 - 9060 |
| a | 8.6668 ± 0.0002 Å |
| b | 8.6668 ± 0.0002 Å |
| c | 30.8408 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2316.56 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0279 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7030454.cif |
| 180010 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/04. |
7030454.cif |
| 116233 | 2014-06-07 | cif/ Updating files of 7030454, 7030455, 7030456, 7030457, 7030458 Original log message: Adding full bibliography for 7030454--7030458.cif. |
7030454.cif |
| 112439 | 2014-05-01 | cif/ Adding structures of 7030454, 7030455, 7030456, 7030457, 7030458 via cif-deposit CGI script. |
7030454.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.