Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7014557
Preview
Coordinates | 7014557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H106 B2 Co2 Fe2 N22 Ni2 O20 P6 |
---|---|
Calculated formula | C66 H106 B2 Co2 Fe2 N22 Ni2 O20 P6 |
SMILES | [BH]12n3ccc[n]3[Fe]3(C#[N][Ni]45([N]#C[Fe]67(C#[N][Ni]89([N]#C3)(O[P](OCC)(OCC)[Co]3%10%11%12([P](O8)(OCC)OCC)([P](O9)(OCC)OCC)[cH]8[cH]%12[cH]%11[cH]%10[cH]38)[N]#CC)(C#N)[n]3cccn3[BH](n3ccc[n]63)n3[n]7ccc3)(O[P](OCC)(OCC)[Co]3678([P](O4)(OCC)OCC)([P](O5)(OCC)OCC)[cH]4[cH]8[cH]7[cH]6[cH]34)[N]#CC)([n]3cccn13)([n]1n2ccc1)C#N.C(#N)C.O.C(#N)C.O |
Title of publication | Hexanuclear Fe(III)(2)Co(III)(2)M(II)(2) (M = Cu, Ni, Mn) clusters based on Kläui's tripodal ligand and tricyanometalates: syntheses, structures and magnetic properties. |
Authors of publication | Kang, Ling-Chen; Yao, Min-Xia; Chen, Xin; Li, Yi-Zhi; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 10 |
Pages of publication | 2204 - 2212 |
a | 10.45 ± 0.004 Å |
b | 14.919 ± 0.005 Å |
c | 17.507 ± 0.009 Å |
α | 107.85 ± 0.006° |
β | 94.917 ± 0.007° |
γ | 109.476 ± 0.004° |
Cell volume | 2395.1 ± 1.7 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.089 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1537 |
Weighted residual factors for all reflections included in the refinement | 0.1651 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/7014557.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.