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Information card for entry 2209674
Preview
Coordinates | 2209674.cif |
---|---|
Structure factors | 2209674.hkl |
Original IUCr paper | HTML |
Chemical name | trans-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine- κN^7^}platinum(II) dimethylformamide disolvate |
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Formula | C36 H46 Cl4 N12 O4 Pt |
Calculated formula | C36 H46 Cl4 N12 O4 Pt |
SMILES | c1(nc(c2c(n1)n(c[n]2[Pt](Cl)([n]1c2c(nc(nc2NCc2cc(O)ccc2)Cl)n(c1)C(C)C)Cl)C(C)C)NCc1cc(O)ccc1)Cl.N(C=O)(C)C.N(C=O)(C)C |
Title of publication | <i>trans</i>-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine-κ<i>N</i>^7^}platinum(II) dimethylformamide disolvate |
Authors of publication | Trávníček, Zdeněk; Marek, Jaromír; Szüčová, Lucie |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 7 |
Pages of publication | m1482 - m1484 |
a | 9.4136 ± 0.0004 Å |
b | 20.0628 ± 0.001 Å |
c | 10.9064 ± 0.0005 Å |
α | 90° |
β | 96.723 ± 0.005° |
γ | 90° |
Cell volume | 2045.65 ± 0.16 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
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/2209674.html
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