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Information card for entry 7201037
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Coordinates | 7201037.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Pentasodium tris(2,2?-oxydiacetato)-praseodymium(iii) bis(tetrafluoroborate) hexahydrate |
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Chemical name | Pentasodium tris(2,2?-oxydiacetato)-praseodymium(III) bis(tetrafluoroborate) hexahydrate |
Formula | C12 H24 B2 F8 Na5 O21 Pr |
Calculated formula | C12 H12 B2 F8 Na5 O21 Pr |
SMILES | [B](F)(F)(F)[F-].C1(=O)C[O]2[Pr]3456(O1)([O](CC(=O)O3)CC(=O)O6)([O](CC(O4)=O)CC(=O)O5)OC(=O)C2.O.[Na+].[Na+].O.[Na+].O.[B](F)(F)(F)[F-].O.[Na+].O.[Na+].O |
Title of publication | Total spontaneous resolution of nine-coordinate complexes |
Authors of publication | Lennartson, Anders; Håkansson, Mikael |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 9 |
Pages of publication | 1979 |
a | 9.71 ± 0.002 Å |
b | 9.71 ± 0.002 Å |
c | 28.17 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2300.1 ± 0.8 Å3 |
Cell temperature | 289 ± 2 K |
Ambient diffraction temperature | 289 ± 2 K |
Number of distinct elements | 7 |
Space group number | 155 |
Hermann-Mauguin space group symbol | R 3 2 :H |
Hall space group symbol | R 3 2" |
Residual factor for all reflections | 0.0321 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation probe | x-ray |
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/7201037.html
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Users of the data should acknowledge the original authors of the
structural data.