Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115610
Preview
Coordinates | 7115610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H30 N4 Pd |
---|---|
Calculated formula | C28 H30 N4 Pd |
SMILES | [Pd]123[n]4c5=Cc6n2c(cc6)C(c2n1c(C=c1[n]3c(C(CC)(c4cc5)CC)cc1)cc2)(CC)CC |
Title of publication | Chemodosimetric cyanide sensing in a 5,15-porphodimethene Pd(II) complex |
Authors of publication | M. G. Derry Holaday; Gourav Tarafdar; B. Adinarayana; M. L. P. Reddy; A. Srinivasan |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 10584 |
a | 8.25 ± 0.005 Å |
b | 14.764 ± 0.005 Å |
c | 19.582 ± 0.005 Å |
α | 88.932 ± 0.005° |
β | 89.487 ± 0.005° |
γ | 74.757 ± 0.005° |
Cell volume | 2300.8 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0967 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/7115610.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.