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Information card for entry 7044088
Preview
Coordinates | 7044088.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H108 Cu4 Na4 O32 S8 Si12 |
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Calculated formula | C88 H108 Cu4 Na4 O32 S8 Si12 |
SMILES | [Cu]123[O]4[Na]5([O]=S(C)C)([O]1[Si]1(O[Si]6([O]5[Si]5([O]7[Cu]89[O]6[Na]6%10([O]8[Si]8(O[Si]%11([O]%12[Na]%13([O]=S(C)C)([O]%14[Cu]%15([O]2[Si]2([O]%16[Na]%17%18([O]2[Si]4(c2ccccc2)[O][Si]([O]%18[Cu]7([O]9%11)[O]%17[Si]%12(O[Si]%16([O]%13%15)c2ccccc2)c2ccccc2)(O5)c2ccccc2)([O]=S(C)C)[O]=S(C)C)c2ccccc2)[O]3[Si]([O]16)([O]%10[Si]%14(O8)c1ccccc1)c1ccccc1)[O]=S(C)C)c1ccccc1)c1ccccc1)([O]=S(C)C)O=S(C)C)c1ccccc1)c1ccccc1)c1ccccc1)[O]=S(C)C |
Title of publication | Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties |
Authors of publication | Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 39.603 ± 0.003 Å |
b | 44.958 ± 0.003 Å |
c | 12.7721 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 22740 ± 3 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 43 |
Hermann-Mauguin space group symbol | F d d 2 |
Hall space group symbol | F 2 -2d |
Residual factor for all reflections | 0.0717 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/7044088.html
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