Information card for entry 7119770

Structure parameters

• Formula: C50 H38 N2 P2 Pt
• Calculated formula: C50 H38 N2 P2 Pt
• SMILES: c1ccccc1[P]([Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1cccnc1)C#Cc1cccnc1)(c1ccccc1)c1ccccc1
• Title of publication: Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.
• Authors of publication: Zhang, Fan; Adolf, Cyril R. R.; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 3587 - 3590
• a: 18.2714 ± 0.0004 Å
• b: 9.6175 ± 0.0002 Å
• c: 22.3182 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3921.87 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No