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Information card for entry 7206084
Preview
Coordinates | 7206084.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H36 F12 N8 Ni O10 P2 |
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Calculated formula | C26 H36 F12 N8 Ni O10 P2 |
SMILES | c1(cccc[nH+]1)N.c1(N)[nH+]cccc1.[P](F)(F)(F)(F)(F)[F-].[Ni]12(OC(=O)CC(=O)O1)(OC(=O)CC(=O)O2)([OH2])[OH2].c1(cccc[nH+]1)N.c1(N)[nH+]cccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Supramolecular assemblies involving anion‒π and lone pair‒π interactions: experimental observation and theoretical analysis |
Authors of publication | Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 14 |
Pages of publication | 4519 |
a | 7.0459 ± 0.001 Å |
b | 11.857 ± 0.0017 Å |
c | 11.8501 ± 0.0017 Å |
α | 84.482 ± 0.002° |
β | 84.484 ± 0.002° |
γ | 72.251 ± 0.002° |
Cell volume | 936.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0309 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7206084.html
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