Information card for entry 7041532

Structure parameters

• Common name: (C12OphObpy)Pt
• Formula: C46 H62 N2 O4 Pt
• Calculated formula: C46 H62 N2 O4 Pt
• SMILES: [Pt]123[n]4c(c5[n]1c(Oc1c3cc(OCCCCCCCCCCCC)cc1)ccc5)cccc4Oc1c2cc(OCCCCCCCCCCCC)cc1
• Title of publication: New phosphorescent platinum(ii) complexes with tetradentate C*N^N*C ligands: liquid crystallinity and polarized emission.
• Authors of publication: Zhang, Shilin; Luo, Kaijun; Geng, Hao; Ni, Hailiang; Wang, Haifeng; Li, Quan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 899 - 906
• a: 8.0093 ± 0.0002 Å
• b: 9.9381 ± 0.0004 Å
• c: 27.1665 ± 0.0009 Å
• α: 84.786 ± 0.003°
• β: 86.532 ± 0.003°
• γ: 70.962 ± 0.003°
• Cell volume: 2034.55 ± 0.12 ų
• Cell temperature: 293.1 ± 0.2 K
• Ambient diffraction temperature: 293.1 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No