Information card for entry 4070089

Structure parameters

• Formula: C32 H42 Br N3 O8 Pt
• Calculated formula: C32 H42 Br N3 O8 Pt
• SMILES: [Pt]1(Br)(C)(C)([n]2cc(ccc2c2ccc(c[n]12)NC(=O)OCC)C(=O)OCC)Cc1ccc(cc1)C(=O)O.CC(=O)C.CC(=O)C
• Title of publication: Self-Assembly of Chiral Organoplatinum(IV) Complexes with Both Carboxylic Acid and Amide Groups
• Authors of publication: Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5052
• a: 6.9797 ± 0.0015 Å
• b: 14.712 ± 0.003 Å
• c: 17.802 ± 0.003 Å
• α: 108.773 ± 0.01°
• β: 94.761 ± 0.01°
• γ: 90.686 ± 0.011°
• Cell volume: 1723.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1278
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No