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Information card for entry 4081515
Preview
Coordinates | 4081515.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H48 B Cu F4 Fe N2 O2 P2 |
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Calculated formula | C50 H48 B Cu F4 Fe N2 O2 P2 |
SMILES | [B](F)(F)(F)[F-].[c]123[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)[P]([Cu]2([n]3ccccc3c3[n]2cccc3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(C)C.C(=O)(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 | 19.502 ± 0.005 Å |
b | 20.029 ± 0.005 Å |
c | 14.304 ± 0.005 Å |
α | 90 ± 0.005° |
β | 125.115 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 4570 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0671 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1115 |
Weighted residual factors for all reflections included in the refinement | 0.1252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71069 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/4081515.html
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