Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006479
Preview
Coordinates | 7006479.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H33 Ag2 Cl Fe N10 O6 |
---|---|
Calculated formula | C42 H33 Ag2 Cl Fe2 N10 O6 |
SMILES | [Ag]([n]1ccnc([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27895634[c]3([cH]2[cH]9[cH]7[cH]83)c2ncc[n]([Ag]3)c2)c1)[n]1ccnc(c1)[c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]9[cH]8[cH]7[cH]12)c1ncc[n]3c1.c1(ccccc1)Cl.N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes. |
Authors of publication | Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 5 |
Pages of publication | 693 - 704 |
a | 20.7418 ± 0.001 Å |
b | 13.2726 ± 0.0007 Å |
c | 14.9841 ± 0.0007 Å |
α | 90° |
β | 98.044 ± 0.001° |
γ | 90° |
Cell volume | 4084.5 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/7006479.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.