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Information card for entry 7037011
Preview
Coordinates | 7037011.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H8 Al2 Cl6 N2 |
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Calculated formula | C10 H8 Al2 Cl6 N2 |
SMILES | c1cc(cc[n]1[Al](Cl)(Cl)Cl)c1cc[n](cc1)[Al](Cl)(Cl)Cl |
Title of publication | Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks. |
Authors of publication | Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 47 |
Pages of publication | 20648 - 20658 |
a | 15.5509 ± 0.0002 Å |
b | 11.952 ± 0.0001 Å |
c | 18.5778 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3452.95 ± 0.08 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123.15 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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