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Information card for entry 2221420
Preview
Coordinates | 2221420.cif |
---|---|
Structure factors | 2221420.hkl |
Original IUCr paper | HTML |
Chemical name | Diaqua[<i>N</i>,<i>N</i>'-bis(3-carboxyprop-2-enoyl)pyridine-2,6- dicarbohydrazidato(2-)]cadmium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate |
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Formula | C21 H29 Cd N7 O12 |
Calculated formula | C21 H29 Cd N7 O12 |
SMILES | C1(=O)c2cccc3[n]2[Cd]24(N1NC(\C=C/C(=O)O)=[O]2)([OH2])(N(C3=O)NC(\C=C/C(=O)O)=[O]4)[OH2].C(=O)N(C)C.C(=O)N(C)C |
Title of publication | Diaqua[<i>N</i>,<i>N</i>'-bis(3-carboxyprop-2-enoyl)pyridine-2,6-dicarbohydrazidato(2‒)]cadmium(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate |
Authors of publication | Cao, Quanfu; Li, Dacheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m464 - m465 |
a | 18.6176 ± 0.0002 Å |
b | 12.6065 ± 0.0008 Å |
c | 12.0038 ± 0.0006 Å |
α | 90° |
β | 99.51° |
γ | 90° |
Cell volume | 2778.6 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/2221420.html
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