Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4343358
Preview
Coordinates | 4343358.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H48 Au2 F12 N8 P2 |
---|---|
Calculated formula | C30 H48 Au2 F12 N8 P2 |
SMILES | [P](F)(F)(F)(F)(F)[F-].[Au]1=C2N(CC)C=CN2CCCCCN2C(=[Au]=C3N(CC)C=CN3CCCCCN3C=1N(CC)C=C3)N(C=C2)CC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles. |
Authors of publication | Kobialka, Stefanie; Müller-Tautges, Christina; Schmidt, Melanie T. S.; Schnakenburg, Gregor; Hollóczki, Oldamur; Kirchner, Barbara; Engeser, Marianne |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 13 |
Pages of publication | 6100 - 6111 |
a | 20.1425 ± 0.0007 Å |
b | 20.9547 ± 0.0008 Å |
c | 11.5734 ± 0.0004 Å |
α | 90° |
β | 123.696 ± 0.001° |
γ | 90° |
Cell volume | 4064.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0262 |
Residual factor for significantly intense reflections | 0.0218 |
Weighted residual factors for significantly intense reflections | 0.0556 |
Weighted residual factors for all reflections included in the refinement | 0.0573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4343358.html
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.