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Information card for entry 4068536
Preview
Coordinates | 4068536.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H32 Cl N4 O5 Re S16 |
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Calculated formula | C31 H32 Cl N4 O5 Re S16 |
SMILES | [Re](C#[O])(C#[O])(C#[O])(Cl)([n]1c(C)c(SC2=C(SC)SC(S2)=C2SC3=C(S2)SCCS3)c(C)[nH]1)[n]1c(C)c(SC2=C(SC)SC(S2)=C2SC3=C(S2)SCCS3)c(C)[nH]1.O.O |
Title of publication | Syntheses, Structures, and Properties of Tricarbonyl (Chloro) Rhenium(I) Complexes with Redox-Active Tetrathiafulvalene−Pyrazole Ligands |
Authors of publication | Liu, Wei; Xiong, Jing; Wang, Yong; Zhou, Xin-Hui; Wang, Ru; Zuo, Jing-Lin; You, Xiao-Zeng |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 3 |
Pages of publication | 755 |
a | 14.886 ± 0.003 Å |
b | 15.115 ± 0.003 Å |
c | 24.448 ± 0.005 Å |
α | 78.393 ± 0.004° |
β | 78.397 ± 0.004° |
γ | 72.951 ± 0.004° |
Cell volume | 5091.9 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.2184 |
Residual factor for significantly intense reflections | 0.0744 |
Weighted residual factors for significantly intense reflections | 0.1581 |
Weighted residual factors for all reflections included in the refinement | 0.1798 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4068536.html
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Users of the data should acknowledge the original authors of the
structural data.