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Information card for entry 2209414
Preview
Coordinates | 2209414.cif |
---|---|
Structure factors | 2209414.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[diaqua-μ~4~-benzene-1,4-dicarboxylato-di-μ~2~-benzene-1,4-dicarboxylato- bis(N,N'-dimethylformamide)digadolinium(III)] |
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Formula | C30 H30 Gd2 N2 O16 |
Calculated formula | C30 H30 Gd2 N2 O16 |
SMILES | C(=O)(c1ccc(C(=O)[O-])cc1)[O-].C(=O)(c1ccc(C(=O)[O-])cc1)[O-].C(=O)([O-])c1ccc(C(=O)[O-])cc1.[Gd]([O]=CN(C)C)[OH2].[Gd]([O]=CN(C)C)[OH2] |
Title of publication | Poly[diaqua-μ~4~-benzene-1,4-dicarboxylato-di-μ~2~-benzene-1,4-dicarboxylato-bis(<i>N</i>,<i>N</i>'-dimethylformamide)digadolinium(III)] |
Authors of publication | Wen-Zhi Zhang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 7 |
Pages of publication | m1600 - m1602 |
a | 8.6066 ± 0.0017 Å |
b | 10.156 ± 0.002 Å |
c | 11.161 ± 0.002 Å |
α | 65.26 ± 0.03° |
β | 71.76 ± 0.03° |
γ | 78.68 ± 0.03° |
Cell volume | 839.1 ± 0.4 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0189 |
Residual factor for significantly intense reflections | 0.0173 |
Weighted residual factors for significantly intense reflections | 0.0418 |
Weighted residual factors for all reflections included in the refinement | 0.0423 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2209414.html
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Users of the data should acknowledge the original authors of the
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