Information card for entry 7020447

Structure parameters

• Formula: C21 H23 Cl N4 Pt
• Calculated formula: C21 H23 Cl N4 Pt
• SMILES: [Pt]1([n]2c(c3[n]1nc(c1CCCCCCc31)c1ncccc1)cccc2)(Cl)C
• Title of publication: Self-assembly of isomeric clamshell dimers of platinum(II).
• Authors of publication: McCready, Matthew S.; Puddephatt, Richard J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12378 - 12385
• a: 18.164 ± 0.004 Å
• b: 12.904 ± 0.003 Å
• c: 8.2595 ± 0.0016 Å
• α: 90°
• β: 93.249 ± 0.007°
• γ: 90°
• Cell volume: 1932.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No