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Information card for entry 4081530
Preview
Coordinates | 4081530.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H64 B2 Cl6 Cu2 F8 Fe2 N6 P4 |
---|---|
Calculated formula | C78 H60 B2 Cl6 Cu2 F8 Fe2 N6 P4 |
SMILES | [B](F)(F)(F)[F-].[Cu]12([N]3c4ncc(c[n]4[Cu]4([N]=3c3ncc(c[n]23)Cl)[P](c2ccccc2)(c2ccccc2)[c]23[Fe]56789%10%11([c]%12([P]4(c4ccccc4)c4ccccc4)[cH]5[cH]6[cH]7[cH]8%12)[cH]2[cH]9[cH]%10[cH]3%11)Cl)[P](c2ccccc2)([c]23[Fe]456789%10([c]%11([P]1(c1ccccc1)c1ccccc1)[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]8[cH]9[cH]3%10)c1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl |
Title of publication | A Ligand-Bridged Heterotetranuclear (Fe2Cu2) Redox System with Fc/Fc+and Radical Ion Intermediates |
Authors of publication | Jana, Rajkumar; Lissner, Falk; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5879 |
a | 12.0203 ± 0.0005 Å |
b | 13.1333 ± 0.0006 Å |
c | 14.5297 ± 0.0006 Å |
α | 64.907 ± 0.003° |
β | 75.654 ± 0.003° |
γ | 64.757 ± 0.002° |
Cell volume | 1872.62 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.148 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.1301 |
Weighted residual factors for all reflections included in the refinement | 0.1584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
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/4081530.html
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Users of the data should acknowledge the original authors of the
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