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Information card for entry 2231984
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Coordinates | 2231984.cif |
---|---|
Structure factors | 2231984.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[1,3-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide monosolvate |
---|---|
Formula | C59 H63 Cd N15 O17 |
Calculated formula | C59 H63 Cd N15 O17 |
SMILES | [Cd]1234([O](Cc5n(c6c([n]25)cccc6)CCC)Cc2[n]3c3c(n2CCC)cccc3)[O](Cc2[n]1c1c(n2CCC)cccc1)Cc1[n]4c2c(n1CCC)cccc2.O=N(=O)c1cc(N(=O)=O)c([O-])c(c1)N(=O)=O.O=N(=O)c1cc(N(=O)=O)cc(c1[O-])N(=O)=O.C(=O)N(C)C |
Title of publication | Bis[1,3-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide monosolvate |
Authors of publication | Wu, Huilu; Kou, Fan; Jia, Fei; Liu, Bin; Yuan, Jingkun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 10 |
Pages of publication | m1461 |
a | 14.211 ± 0.006 Å |
b | 14.997 ± 0.007 Å |
c | 16.19 ± 0.007 Å |
α | 94.207 ± 0.004° |
β | 112.449 ± 0.004° |
γ | 97.986 ± 0.004° |
Cell volume | 3128 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0506 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.1061 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.851 |
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/2231984.html
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