Information card for entry 4129642

Structure parameters

• Formula: C7 H16 Cl2 N6 O Pt
• Calculated formula: C7 H16 Cl2 N6 O Pt
• SMILES: [Pt]1(Cl)(Cl)[NH2]CC(NC(=O)CCCN=N#N)C[NH2]1
• Title of publication: Azide vs Alkyne Functionalization in Pt(II) Complexes for Post-treatment Click Modification: Solid-State Structure, Fluorescent Labeling, and Cellular Fate.
• Authors of publication: Wirth, Regina; White, Jonathan D.; Moghaddam, Alan D.; Ginzburg, Aurora L.; Zakharov, Lev N.; Haley, Michael M.; DeRose, Victoria J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 48
• Pages of publication: 15169 - 15175
• a: 7.33 ± 0.002 Å
• b: 7.583 ± 0.002 Å
• c: 11.831 ± 0.003 Å
• α: 85.465 ± 0.005°
• β: 86.04 ± 0.005°
• γ: 86.498 ± 0.005°
• Cell volume: 653 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No