Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4123240
Preview
| Coordinates | 4123240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H60 B F24 P2 Rh |
|---|---|
| Calculated formula | C58 H60 B F24 P2 Rh |
| Title of publication | Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine). |
| Authors of publication | Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 2 |
| Pages of publication | 820 - 833 |
| a | 18.2898 ± 0.0002 Å |
| b | 13.0378 ± 0.0001 Å |
| c | 26.3494 ± 0.0002 Å |
| α | 90° |
| β | 107.068 ± 0.0009° |
| γ | 90° |
| Cell volume | 6006.52 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for all reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9165 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123240.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4123240.cif |
| 130634 | 2015-02-04 | cif/ Updating files of 4123238, 4123239, 4123240, 4123241, 4123242, 4123243, 4123244, 4123245, 4123246 Original log message: Adding full bibliography for 4123238--4123246.cif. |
4123240.cif |
| 129825 | 2015-01-17 | cif/ Adding structures of 4123238, 4123239, 4123240, 4123241, 4123242, 4123243, 4123244, 4123245, 4123246 via cif-deposit CGI script. |
4123240.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.