Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4329691
Preview
Coordinates | 4329691.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H64 N10 Ru2 |
---|---|
Calculated formula | C66 H64 N10 Ru2 |
SMILES | N1(C(c2ccccc2)=[N](C)[Ru]234([Ru]1([N](C)=C(N3C)c1ccccc1)(C#Cc1ccc(cc1)/C=N/c1ccccc1)(N(C)C(=[N]2C)c1ccccc1)[N](=C(N4C)c1ccccc1)C)C#Cc1ccc(cc1)/C=N/c1ccccc1)C |
Title of publication | Diruthenium(III,III) Ethynyl-phenyleneimine Molecular Wires: Preparation via On-Complex Schiff Base Condensation |
Authors of publication | Steven P. Cummings; Zhi Cao; Phillip E. Fanwick; Anastasia Kharlamova; Tong Ren |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 7561 - 7568 |
a | 18.5186 ± 0.0008 Å |
b | 11.3288 ± 0.0004 Å |
c | 29.7899 ± 0.0009 Å |
α | 90° |
β | 104.3 ± 0.003° |
γ | 90° |
Cell volume | 6056.1 ± 0.4 Å3 |
Cell temperature | 200 ± 0.2 K |
Ambient diffraction temperature | 200 ± 0.2 K |
Number of distinct elements | 4 |
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 | 0.036 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CU-Kα |
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/4329691.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.