Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4033574
Preview
Coordinates | 4033574.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H42 N6 O8 P2 Rh |
---|---|
Calculated formula | C48 H42 N6 O8 P2 Rh |
SMILES | [P]([Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([N](C3=C(N(C(=O)N(C)C3=O)C)O1)=O)[N](C1=C(N(C(=O)N(C)C1=O)C)O2)=O)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Structural and theoretical studies on rhodium and iridium complexes with 5-nitrosopyrimidines. Effects on the proteolytic regulatory enzymes of the renin-angiotensin system in human tumoral brain cells. |
Authors of publication | Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Ramírez-Expósito, María J; García-García, Antonio R; Peña-Ruiz, Tomás; Martínez-Martos, José M; Moreno-Carretero, Miguel N |
Journal of publication | Journal of inorganic biochemistry |
Year of publication | 2015 |
Journal volume | 143 |
Pages of publication | 20 - 33 |
a | 10.363 ± 0.0016 Å |
b | 17.753 ± 0.0016 Å |
c | 11.701 ± 0.0014 Å |
α | 90° |
β | 94.809 ± 0.012° |
γ | 90° |
Cell volume | 2145.1 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0735 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.1061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
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/4033574.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.