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Information card for entry 7036192
Preview
Coordinates | 7036192.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Cu2(dmise)5](BF4)2 |
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Formula | C27 H43 B2 Cu2 F8 N11 Se5 |
Calculated formula | C27 H43 B2 Cu2 F8 N11 Se5 |
SMILES | [Cu]1([Cu]([Se]1=C1N(C)C=CN1C)([Se]=C1N(C=CN1C)C)[Se]=C1N(C)C=CN1C)([Se]=C1N(C)C=CN1C)[Se]=C1N(C)C=CN1C.N#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
Title of publication | Dinuclear copper(i) complexes with N-heterocyclic thione and selone ligands: synthesis, characterization, and electrochemical studies. |
Authors of publication | Kimani, Martin M.; Watts, David; Graham, Leigh A.; Rabinovich, Daniel; Yap, Glenn P. A.; Brumaghim, Julia L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 37 |
Pages of publication | 16313 - 16324 |
a | 11.712 ± 0.002 Å |
b | 14.126 ± 0.003 Å |
c | 14.8 ± 0.003 Å |
α | 87.32 ± 0.03° |
β | 73.78 ± 0.03° |
γ | 71.01 ± 0.03° |
Cell volume | 2220.5 ± 0.9 Å3 |
Cell temperature | 168.15 K |
Ambient diffraction temperature | 168.15 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0616 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1285 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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