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Information card for entry 4073523
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Coordinates | 4073523.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | cis-cis-cis-cyclododeca-1,5,9-triene-methanol-copper(i) tetrafluoroborate |
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Formula | C13 H22 B Cu F4 O |
Calculated formula | C13 H22 B Cu F4 O |
SMILES | [CH]12=[CH]3CC[CH]4=[CH]5CC[CH]6=[CH](CC1)[Cu]23456[OH]C.[B](F)(F)(F)[F-] |
Title of publication | cis,cis,cis-1,5,9-Cyclododecatriene−Metal Complexes |
Authors of publication | Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 20 |
Pages of publication | 4872 |
a | 9.784 ± 0.0005 Å |
b | 10.9423 ± 0.0006 Å |
c | 13.7195 ± 0.0007 Å |
α | 90° |
β | 95.568 ± 0.002° |
γ | 90° |
Cell volume | 1461.87 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0347 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0595 |
Weighted residual factors for all reflections included in the refinement | 0.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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