Information card for entry 4076073

Structure parameters

• Formula: C46 H62 B N5 Pt
• Calculated formula: C46 H62 B N5 Pt
• SMILES: [Pt]1([n]2n([B](n3[n]1ccc3)(c1ccccc1)c1ccccc1)ccc2)(c1ccccc1)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Comparative Studies with Zwitterionic Platinum(II) Bis(pyrazolyl)borate and 2,2‘-Bipyridylborate Complexes
• Authors of publication: Thomas, Christine M.; Peters, Jonas C.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5858
• a: 14.8387 ± 0.0011 Å
• b: 17.0287 ± 0.0013 Å
• c: 17.1175 ± 0.0013 Å
• α: 90°
• β: 103.087 ± 0.001°
• γ: 90°
• Cell volume: 4213 ± 0.6 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No