Information card for entry 7008511

Structure parameters

• Formula: C55 H47 Cl3 N2 Pt
• Calculated formula: C55 H47 Cl3 N2 Pt
• SMILES: C(Cl)(Cl)Cl.[Pt]1([n]2cc(c(c3ccc4c(c(c[n]1c4c23)CCCCC)C#Cc1ccccc1)C#Cc1ccccc1)CCCCC)(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Platinum(II) 1,10-phenanthroline complexes of acetylides containing redox-active groups.
• Authors of publication: Siemeling, Ulrich; Bausch, Kirstin; Fink, Heinrich; Bruhn, Clemens; Baldus, Marc; Angerstein, Brigitta; Plessow, Regina; Brockhinke, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2365 - 2374
• a: 9.6713 ± 0.0005 Å
• b: 25.3948 ± 0.0013 Å
• c: 18.9224 ± 0.0012 Å
• α: 90°
• β: 94.043 ± 0.005°
• γ: 90°
• Cell volume: 4635.8 ± 0.4 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No