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Information card for entry 4338550
Preview
| Coordinates | 4338550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H24 N14 O9 Pt |
|---|---|
| Calculated formula | C22 H24 N14 O9 Pt |
| SMILES | [Pt]1([n]2c(c3[n]1cccc3)cccc2)([n]1c2c(nc([nH]c2=O)N)n(c1)C)[n]1c2c(nc([nH]c2=O)N)n(c1)C.N(=O)(=O)[O-].N(=O)(=O)[O-].O |
| Title of publication | Expanding the pH Range of Metal–Nucleobase Complexes for Acid–Base Chemistry: Properties of Bis(guanine) Complexes of (bpy)Pt^II^ with Either Two Major or Major and Minor Tautomers Bonded Simultaneously |
| Authors of publication | Brandi-Blanco, Pilar; Sanz Miguel, Pablo J.; Müller, Barbara; Gil Bardají, Elisa; Willermann, Michael; Lippert, Bernhard |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 5208 - 5215 |
| a | 15.2631 ± 0.0004 Å |
| b | 12.0657 ± 0.0004 Å |
| c | 15.5578 ± 0.0005 Å |
| α | 90° |
| β | 100.314 ± 0.002° |
| γ | 90° |
| Cell volume | 2818.83 ± 0.15 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.0606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338550.cif |
| 209996 | 2018-08-20 | cif/4/ Updating bibliography in entries 4302320-4302322, 4338550-4338552. Marking entries 4302320-4302322 as duplicates of entries 4338552, 4338551, 4338550. |
4338550.cif |
| 179488 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85. |
4338550.cif |
| 114743 | 2014-05-29 | cif/ Adding structures of 4338550, 4338551, 4338552 via cif-deposit CGI script. |
4338550.cif |
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