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Information card for entry 7038757
Preview
Coordinates | 7038757.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C81 H100 N7 Na Ni5 O28 Si10 |
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Calculated formula | C81 H100 N7 Na Ni5 O28 Si10 |
SMILES | [Ni]12345678[Ni]9%10%11%12%13%14%15[Ni]%16%17%18%19%20([Ni]%21%22%23%24([Ni]%25%26%271([O]%21[Si]1(O[Si]([O]6%27)(O[Si]([O]5%12[Na]29([O]3%10[Si]2(O[Si]([O]%13%17)(O[Si]([O]%18%23)(O[Si]([O]%22%26)(O[Si]([O]4%25)(O2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)([O]%14=CN(C)C)([O]7=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)(O[Si]([O]%11%16)(O[Si]([O]%19%24)(O1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[O]=CN(C)C)([O]=CN(C)C)[O]8%15%20)[O]=CN(C)C |
Title of publication | Unusual penta- and hexanuclear Ni(ii)-based silsesquioxane polynuclear complexes. |
Authors of publication | Bilyachenko, Alexey N.; Yalymov, Alexey I.; Korlyukov, Alexander A.; Long, Jérôme; Larionova, Joulia; Guari, Yannick; Vologzhanina, Anna V.; Es'kova, Marina A.; Shubina, Elena S.; Levitsky, Mikhail M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 17 |
Pages of publication | 7320 - 7327 |
a | 20.1408 ± 0.0017 Å |
b | 18.6886 ± 0.0016 Å |
c | 27.306 ± 0.002 Å |
α | 90° |
β | 92.703 ± 0.002° |
γ | 90° |
Cell volume | 10266.6 ± 1.4 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.063 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/7038757.html
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