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Information card for entry 7700113
Preview
Coordinates | 7700113.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H82 N17 Na O25 Yb2 |
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Calculated formula | C54 H77 N17 Na O25 Yb2 |
SMILES | c12cccc3[n]1[Yb]14567([OH2])([N](=C3)[C@@H]3[C@@H]([N]1=Cc1[n]4c(C=[N]5[C@@H]4[C@@H]([N]6=C2)CCCC4)ccc1)CCCC3)[OH][Yb]12345([n]6c8cccc6C=[N]1[C@H]1CCCC[C@@H]1[N]2=Cc1cccc(C=[N]4[C@H]2CCCC[C@@H]2[N]5=C8)[n]31)([OH]7)[OH2].[Na+].O.O.CO.CO.O=N(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O |
Title of publication | Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes. |
Authors of publication | Starynowicz, Przemysław; Lisowski, Jerzy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 24 |
Pages of publication | 8717 - 8724 |
a | 14.129 ± 0.003 Å |
b | 15.027 ± 0.003 Å |
c | 16.584 ± 0.003 Å |
α | 90° |
β | 109.97 ± 0.02° |
γ | 90° |
Cell volume | 3309.3 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0321 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7700113.html
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Users of the data should acknowledge the original authors of the
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