Information card for entry 4515872

Structure parameters

• Formula: C37 H50 B Br N4 O4 Pt
• Calculated formula: C37 H50 B Br N4 O4 Pt
• SMILES: [Pt]1(Br)([n]2ccccc2c2[n]1nc(c1c2CCCCCC1)c1ncccc1)(C)(C)Cc1c(cccc1)B(O)O.O1CCCC1.O1CCCC1
• 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: 9.8253 ± 0.0003 Å
• b: 9.9194 ± 0.0003 Å
• c: 19.4252 ± 0.0006 Å
• α: 103.365 ± 0.002°
• β: 95.89 ± 0.002°
• γ: 99.558 ± 0.002°
• Cell volume: 1796.64 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No