Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4317789
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4317789.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound6 |
---|---|
Formula | C23 H36 Cl2 Mo2 N2 O4 P2 |
Calculated formula | C23 H36 Cl2 Mo2 N2 O4 P2 |
SMILES | [Mo]12([Mo]([P](C)(C)C)(Cl)([O]=C(O1)C)[N](=CN2c1ccccc1OC)c1ccccc1OC)([P](C)(C)C)Cl |
Title of publication | Metallonitrosyl Fragment as Electron Acceptor: Intramolecular Charge Transfer, Long Range Electronic Coupling, and Electrophilic Reactivity in the trans-[NCRu(py)4(CN)Ru(py)4NO]3+ Ion |
Authors of publication | Federico Roncaroli; Luis M. Baraldo; Leonardo D. Slep; José A. Olabe |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 1930 - 1939 |
a | 9.8355 ± 0.0011 Å |
b | 10.9407 ± 0.001 Å |
c | 16.0685 ± 0.0015 Å |
α | 102.186 ± 0.007° |
β | 105.421 ± 0.006° |
γ | 103.016 ± 0.008° |
Cell volume | 1555 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0677 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for all reflections | 0.0983 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Goodness-of-fit parameter for all reflections | 1.031 |
Goodness-of-fit parameter for significantly intense reflections | 1.067 |
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/4317789.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.