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Information card for entry 7015795
Preview
Coordinates | 7015795.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H16 Br Cu N4 Se2 |
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Calculated formula | C10 H16 Br Cu N4 Se2 |
SMILES | CN1C(=[Se][Cu](Br)[Se]=C2N(C=CN2C)C)N(C=C1)C |
Title of publication | Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries. |
Authors of publication | Kimani, Martin M.; Bayse, Craig A.; Brumaghim, Julia L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 14 |
Pages of publication | 3711 - 3723 |
a | 10.297 ± 0.002 Å |
b | 10.39 ± 0.002 Å |
c | 14.824 ± 0.003 Å |
α | 90° |
β | 101.47 ± 0.03° |
γ | 90° |
Cell volume | 1554.3 ± 0.6 Å3 |
Cell temperature | 173.15 ± 0.02 K |
Ambient diffraction temperature | 173.15 ± 0.02 K |
Number of distinct elements | 6 |
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 | 0.0437 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
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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