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Information card for entry 7035914
Preview
Coordinates | 7035914.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 7 |
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Formula | C42 H48 B Cu F4 N4 S2 |
Calculated formula | C42 H48 B Cu F4 N4 S2 |
SMILES | [B](F)(F)(F)[F-].C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[S][Cu][S]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes. |
Authors of publication | Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 35 |
Pages of publication | 15636 - 15644 |
a | 20.0772 ± 0.0007 Å |
b | 8.2488 ± 0.0003 Å |
c | 24.7461 ± 0.001 Å |
α | 90° |
β | 101.745 ± 0.004° |
γ | 90° |
Cell volume | 4012.5 ± 0.3 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 7 |
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 | 0.044165 |
Residual factor for significantly intense reflections | 0.038252 |
Weighted residual factors for all reflections included in the refinement | 0.108046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04931 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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