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Information card for entry 7013844
Preview
Coordinates | 7013844.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N,N-bis(2-pyridylmethyl)-beta-alaninate-oxo-peroxovanadate 2[VO(O2)Hbpa].[VO(O2)bpa].2ClO4.2.25H2O |
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Formula | C45 H54.5 Cl2 N9 O25.25 V3 |
Calculated formula | C45 H54.5 Cl2 N9 O25.25 V3 |
Title of publication | Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets |
Authors of publication | Casny, Marian; Rehder, Dieter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2004 |
Journal issue | 5 |
Pages of publication | 839 - 846 |
a | 36.198 ± 0.01 Å |
b | 7.075 ± 0.002 Å |
c | 24.157 ± 0.007 Å |
α | 90° |
β | 119.867 ± 0.005° |
γ | 90° |
Cell volume | 5365 ± 3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0774 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
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/7013844.html
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