Information card for entry 7036301

Structure parameters

• Chemical name: 2,2'-biphenyl)(4,4'-dimethyl-2,2'-bipyridyl)platinum(II)
• Formula: C27 H26 N2 O Pt
• Calculated formula: C24 H20 N2 Pt
• SMILES: c12ccccc1c1c([Pt]32[n]2ccc(cc2c2cc(cc[n]32)C)C)cccc1
• Title of publication: HOMO-LUMO energy gap control in platinum(ii) biphenyl complexes containing 2,2'-bipyridine ligands.
• Authors of publication: Rillema, D. Paul; Stoyanov, Stanislav R.; Cruz, Arvin J.; Nguyen, Huy; Moore, Curtis; Huang, Wei; Siam, Khamis; Jehan, Ali; KomReddy, Venugopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17075 - 17090
• a: 13.8433 ± 0.001 Å
• b: 9.9922 ± 0.0007 Å
• c: 17.0754 ± 0.0013 Å
• α: 90°
• β: 112.027 ± 0.003°
• γ: 90°
• Cell volume: 2189.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0597
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No