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Information card for entry 7113066
Preview
Coordinates | 7113066.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H47 Cr N16 Ni2 S7 |
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Calculated formula | C39 H47 Cr N16 Ni2 S7 |
Title of publication | Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n. |
Authors of publication | Mousavi, Maliheh; Béreau, Virgine; Desplanches, Cédric; Duhayon, Carine; Sutter, Jean-Pascal |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 40 |
Pages of publication | 7519 - 7521 |
a | 10.3765 ± 0.0007 Å |
b | 23.1054 ± 0.0015 Å |
c | 11.1193 ± 0.0008 Å |
α | 90° |
β | 109.15 ± 0.002° |
γ | 90° |
Cell volume | 2518.4 ± 0.3 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0638 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for all reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.0629 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0658 |
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/7113066.html
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Users of the data should acknowledge the original authors of the
structural data.