Information card for entry 7033452

Structure parameters

• Formula: C43 H34 N2 O2 P2 Pt
• Calculated formula: C43 H34 N2 O2 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(C#Cc1ccc(nc1)C=O)C#Cc1ccc(nc1)C=O
• Title of publication: A heterometallic macrocycle as a redox-controlled molecular hinge.
• Authors of publication: Schouwey, Clément; Papmeyer, Marcus; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2252 - 2258
• a: 9.3776 ± 0.0004 Å
• b: 12.5093 ± 0.0004 Å
• c: 15.6996 ± 0.0003 Å
• α: 93.424 ± 0.002°
• β: 92.13 ± 0.003°
• γ: 96.938 ± 0.003°
• Cell volume: 1823.1 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No