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Information card for entry 7056623
Preview
Coordinates | 7056623.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H30 Cd Cl4 N6 Ni |
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Calculated formula | C28 H30 Cd Cl4 N6 Ni |
SMILES | [Cd](Cl)(Cl)([Cl-])[Cl-].[Ni]1234([n]5c(C=[N]1CC[NH]2c1ccccc1)cccc5)[NH](c1ccccc1)CC[N]4=Cc1[n]3cccc1 |
Title of publication | Metal ions as external stimuli in stereoselective self-sorting of koneramines and thiokoneramines |
Authors of publication | Raje, Sakthi; Mani, Kalaikodikumaran; MinnathParsutkar, Mahesh; Angamuthu, Raja |
Journal of publication | New J. Chem. |
Year of publication | 2017 |
a | 10.202 ± 0.002 Å |
b | 17.783 ± 0.004 Å |
c | 17.633 ± 0.004 Å |
α | 90° |
β | 102.04 ± 0.03° |
γ | 90° |
Cell volume | 3128.6 ± 1.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.145 |
Residual factor for significantly intense reflections | 0.1113 |
Weighted residual factors for significantly intense reflections | 0.3075 |
Weighted residual factors for all reflections included in the refinement | 0.3225 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.21 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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