Information card for entry 4077713

Structure parameters

• Formula: C40 H54 B F4 N3 O6 Pt
• Calculated formula: C40 H54 B F4 N3 O6 Pt
• SMILES: [Pt]1([n]2ccc(cc2c2cc(cc[n]12)C(C)(C)C)C(C)(C)C)([n]1ccc(cc1)C(=O)O)(Cc1ccc(cc1)C(=O)O)(C)C.C(=O)(C)C.C(=O)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Organoplatinum(IV) Complexes with Hydrogen Bonds: From Monomers to Polymers
• Authors of publication: Fraser, Christopher S. A.; Jenkins, Hilary A.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1635
• a: 17.0747 ± 0.0002 Å
• b: 14.756 ± 0.0002 Å
• c: 17.3898 ± 0.0002 Å
• α: 90°
• β: 103.678 ± 0.001°
• γ: 90°
• Cell volume: 4257.18 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No