Information card for entry 4086494

Structure parameters

• Common name: Compound X
• Formula: C40.5 H33 B Cl N7 O2 Pb Pt
• Calculated formula: C40.5 H33 B Cl N7 O2 Pb Pt
• SMILES: [Pt]1(c2cccc3ccc4ccc[n]1c4c23)(C#Cc1cccc(c1)OC)C#Cc1cccc(c1)OC.[Pb]12[n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21.C(Cl)Cl
• Title of publication: Structural and Photophysical Study on Alkynyl Cyclometalated Pt2Pb2and Pt2Pb Clusters
• Authors of publication: Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 12.678 ± 0.0002 Å
• b: 13.1485 ± 0.0003 Å
• c: 24.0521 ± 0.0006 Å
• α: 91.8073 ± 0.0008°
• β: 101.352 ± 0.0014°
• γ: 106.02 ± 0.0014°
• Cell volume: 3762.6 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No