Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313567
Preview
Coordinates | 4313567.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (dpap)2Rh(III)TPP, I |
---|---|
Formula | C86 H60 Cl6 I N4 P2 Rh |
Calculated formula | C86 H60 Cl6 I N4 P2 Rh |
SMILES | c12=C(c3ccc4=C(c5ccccc5)c5ccc6C(=c7ccc8[n]7[Rh]([n]34)([P](c3ccccc3)(c3ccccc3)C#Cc3ccccc3)(n2c(=C8c2ccccc2)cc1)(n56)[P](c1ccccc1)(c1ccccc1)C#Cc1ccccc1)c1ccccc1)c1ccccc1.[I-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Complexation of Diphenyl(phenylacetenyl)phosphine to Rhodium(III) Tetraphenyl Porphyrins: Synthesis and Structural, Spectroscopic, and Thermodynamic Studies |
Authors of publication | Eugen Stulz; Sonya M. Scott; Andrew D. Bond; Sijbren Otto; Jeremy K. M. Sanders |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3086 - 3096 |
a | 25.953 ± 0.0006 Å |
b | 11.612 ± 0.0002 Å |
c | 23.8501 ± 0.0006 Å |
α | 90° |
β | 91.116 ± 0.001° |
γ | 90° |
Cell volume | 7186.3 ± 0.3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0442 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0789 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.7107 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/4313567.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.