Information card for entry 7035984

Structure parameters

• Formula: C48 H40 Cl4 N2 P2 Pt2
• Calculated formula: C48 H40 Cl4 N2 P2 Pt2
• SMILES: [Pt]1(c2c(c3[n]1cccc3)cccc2)(Cl)[P](c1ccccc1)(c1ccccc1)C[P]([Pt]1(c2c(c3[n]1cccc3)cccc2)Cl)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Luminescence properties of some monomeric and dimeric cycloplatinated(ii) complexes containing biphosphine ligands.
• Authors of publication: Aghakhanpour, Reza Babadi; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15829 - 15842
• a: 11.6207 ± 0.0008 Å
• b: 18.9657 ± 0.0012 Å
• c: 20.2375 ± 0.0015 Å
• α: 90°
• β: 96.179 ± 0.007°
• γ: 90°
• Cell volume: 4434.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No