Information card for entry 4515870

Structure parameters

• Formula: C32 H37 Br Cl5 N4 O2 Pt
• Calculated formula: C32 H37 Br Cl5 N4 O2 Pt
• SMILES: [Pt]1(Br)([n]2[c]cccc2c2[n]1nc(c1c2CCCCCC1)c1ncccc1)(C)(C)Cc1c(cccc1)CO.O.C(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.
• Authors of publication: McCready, Matthew S.; Puddephatt, Richard J.
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 13621 - 13629
• a: 9.7737 ± 0.0005 Å
• b: 10.0964 ± 0.0005 Å
• c: 36.9181 ± 0.0017 Å
• α: 90°
• β: 97.239 ± 0.002°
• γ: 90°
• Cell volume: 3614 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No