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Information card for entry 4325077
Preview
Coordinates | 4325077.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H44 Br2 N8 Ni2 O4 P2 |
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Calculated formula | C52 H44 Br2 N8 Ni2 O4 P2 |
SMILES | [n]12c(c3[n]([Ni]452([n]2ccccc2c2[n]4cccc2)[O]=P(c2ccccc2)O[Ni]24([n]6ccccc6c6[n]2cccc6)([n]2ccccc2c2[n]4cccc2)[O]=P(c2ccccc2)O5)cccc3)cccc1.[Br-].[Br-] |
Title of publication | New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties |
Authors of publication | Dmitry Yakhvarov; Ekaterina Trofimova; Oleg Sinyashin; Olga Kataeva; Yulia Budnikova; Peter Lönnecke; Evamarie Hey-Hawkins; Andreas Petr; Yulia Krupskaya; Vladislav Kataev; Rüdiger Klingeler; Bernd Büchner |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4553 - 4558 |
a | 8.5586 ± 0.0002 Å |
b | 11.2437 ± 0.0003 Å |
c | 13.7659 ± 0.0004 Å |
α | 67.18 ± 0.003° |
β | 86.841 ± 0.002° |
γ | 87.092 ± 0.002° |
Cell volume | 1218.53 ± 0.06 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 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 | 0.0468 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0696 |
Weighted residual factors for all reflections included in the refinement | 0.0724 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4325077.html
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Users of the data should acknowledge the original authors of the
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