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Information card for entry 4081514
Preview
Coordinates | 4081514.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H50 B Cu F4 Fe N6 O P2 |
---|---|
Calculated formula | C55 H50.5 B Cu F4 Fe N6 O P2 |
SMILES | [Cu]12([P](c3ccccc3)(c3ccccc3)[c]34[Fe]56789%10%11([c]%12([P]1(c1ccccc1)c1ccccc1)[cH]5[cH]%10[cH]7[cH]6%12)[cH]([cH]49)[cH]%11[cH]38)[n]1nn(Cc3ccccc3)cc1c1[n]2nn(Cc2ccccc2)c1.[B](F)(F)(F)[F-].O=C(C)C |
Title of publication | Heterobimetallic Cu‒dppf (dppf = 1,1′-Bis(diphenylphosphino)ferrocene) Complexes with “Click” Derived Ligands: A Combined Structural, Electrochemical, Spectroelectrochemical, and Theoretical Study |
Authors of publication | Schweinfurth, David; Büttner, Nadin; Hohloch, Stephan; Deibel, Naina; Klein, Johannes; Sarkar, Biprajit |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5834 |
a | 24.181 ± 0.005 Å |
b | 15.108 ± 0.005 Å |
c | 27.62 ± 0.005 Å |
α | 90 ± 0.005° |
β | 95.179 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 10049 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1009 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081514.html
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