Information card for entry 4515871

Structure parameters

• Formula: C32 H40 B Br N4 O3 Pt
• Calculated formula: C32 H40 B Br N4 O3 Pt
• SMILES: [Pt]1(Br)([n]2ccccc2c2[n]1nc(c1c2CCCCCC1)c1ncccc1)(C)(C)Cc1cccc(c1)B(O)O.C(=O)(C)C
• 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: 8.8735 ± 0.0006 Å
• b: 10.971 ± 0.0006 Å
• c: 17.8017 ± 0.0011 Å
• α: 94.577 ± 0.004°
• β: 93.652 ± 0.004°
• γ: 113.547 ± 0.004°
• Cell volume: 1574.96 ± 0.18 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: 0.0972
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No