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Information card for entry 7006348
Preview
Coordinates | 7006348.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 Cu2 N6 O2 S4 |
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Calculated formula | C16 H14 Cu2 N6 O2 S4 |
SMILES | c1cc(C)ccn1=[O][Cu]1(N=C=S)SC#[N][Cu](N=C=S)([O]=n2ccc(C)cc2)SC#[N]1 |
Title of publication | Synthesis, crystal structure, magnetic properties and theoretical studies on a one-dimensional polynuclear copper(II) complex [Cu2(mu1,3-SCN)2(mu'1,3-SCN)2(MPyO)2]n. |
Authors of publication | Shi, Jing-Min; Sun, You-Min; Liu, Zhe; Liu, Lian-Dong; Shi, Wei; Cheng, Peng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 2 |
Pages of publication | 376 - 380 |
a | 5.624 ± 0.004 Å |
b | 17.691 ± 0.011 Å |
c | 11.076 ± 0.007 Å |
α | 90° |
β | 103.621 ± 0.008° |
γ | 90° |
Cell volume | 1071 ± 1.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0606 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0959 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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