Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7216140
Preview
| Coordinates | 7216140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | IDipp-C60, (CNPT)2 |
|---|---|
| Chemical name | 1,3-bis(diisopropylphenyl)imidazol-2-ylidene-C60 adduct, chloronaphthalene (two molecules) solvate |
| Formula | C107 H50 Cl2 N2 |
| Calculated formula | C107 H50 Cl2 N2 |
| Title of publication | A fullerene-carbene adduct as a crystalline molecular rotor: remarkable behavior of a spherically-shaped rotator. |
| Authors of publication | Lorbach, Andreas; Maverick, Emily; Carreras, Abel; Alemany, Pere; Wu, Guang; Garcia-Garibay, Miguel A; Bazan, Guillermo C. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 25 |
| Pages of publication | 12980 - 12986 |
| a | 12.6739 ± 0.0015 Å |
| b | 14.0712 ± 0.0016 Å |
| c | 19.438 ± 0.002 Å |
| α | 102.258 ± 0.003° |
| β | 97.661 ± 0.003° |
| γ | 104.351 ± 0.003° |
| Cell volume | 3217.9 ± 0.6 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2005 |
| Residual factor for significantly intense reflections | 0.149 |
| Weighted residual factors for significantly intense reflections | 0.4171 |
| Weighted residual factors for all reflections included in the refinement | 0.4644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.736 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180492 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61. |
7216140.cif |
| 116305 | 2014-06-07 | cif/ Updating files of 7216130, 7216131, 7216132, 7216133, 7216134, 7216135, 7216136, 7216137, 7216138, 7216139, 7216140, 7216141, 7216142 Original log message: Adding full bibliography for 7216130--7216142.cif. |
7216140.cif |
| 114361 | 2014-05-23 | cif/ Adding structures of 7216130, 7216131, 7216132, 7216133, 7216134, 7216135, 7216136, 7216137, 7216138, 7216139, 7216140, 7216141, 7216142 via cif-deposit CGI script. |
7216140.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.