Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4074261
Preview
Coordinates | 4074261.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H36 N4 O3 Pd |
---|---|
Calculated formula | C34 H35 N4 O3 Pd |
SMILES | O.[Pd]12(=C3N(c4ccccc4N3CCCC)c3c(O1)cccc3)Oc1c(N3C=2N(c2c3cccc2)CCCC)cccc1 |
Title of publication | Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers |
Authors of publication | Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 26 |
Pages of publication | 6087 |
a | 12.499 ± 0.0004 Å |
b | 13.821 ± 0.0005 Å |
c | 18.559 ± 0.0007 Å |
α | 90.294 ± 0.0015° |
β | 102.592 ± 0.0014° |
γ | 99.423 ± 0.0014° |
Cell volume | 3083.93 ± 0.19 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1618 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
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/4074261.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.