Information card for entry 7036300

Structure parameters

• Chemical name: (2,2'-biphenyl)(4,4'-dibromo-2,2'-bipyridyl)platinum(II)
• Formula: C22 H14 Br2 N2 Pt
• Calculated formula: C22 H14 Br2 N2 Pt
• SMILES: [Pt]12([n]3c(c4[n]1ccc(Br)c4)cc(Br)cc3)c1ccccc1c1c2cccc1
• 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: 7.2532 ± 0.0017 Å
• b: 20.093 ± 0.004 Å
• c: 24.757 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3608 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No