Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2015498
Preview
Coordinates | 2015498.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | di-μ-chloro-bis[chloro(η^6^-p-cymene)ruthenium]‒9H-carbazole (1/2) |
---|---|
Formula | C44 H46 Cl4 N2 Ru2 |
Calculated formula | C44 H46 Cl4 N2 Ru2 |
SMILES | [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456(Cl)[Cl][Ru]23456([c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)([Cl]1)Cl)C)C(C)C.[nH]1c2ccccc2c2c1cccc2.[nH]1c2ccccc2c2ccccc12 |
Title of publication | A μ-chloro-bridged dinuclear ruthenium complex with 9<i>H</i>-carbazole: the formation of one-dimensional linear chains of star-shaped edge-fused rings |
Authors of publication | Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Çetinkaya, Bekir; Büyükgüngör, Orhan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 8 |
Pages of publication | m346 - m348 |
a | 8.1427 ± 0.0005 Å |
b | 18.3212 ± 0.0014 Å |
c | 27.303 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4073.2 ± 0.6 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0725 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/2015498.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.