Information card for entry 7035795

Structure parameters

• Formula: C50 H38 N2 P2 Pt
• Calculated formula: C50 H38 N2 P2 Pt
• SMILES: C(#Cc1ccncc1)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccncc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Molecular tectonics: heterometallic coordination networks based on a Pt(ii) organometallic metallatecton.
• Authors of publication: Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14204 - 14207
• a: 9.8982 ± 0.0005 Å
• b: 10.2683 ± 0.0005 Å
• c: 10.6425 ± 0.0005 Å
• α: 83.162 ± 0.002°
• β: 67.534 ± 0.002°
• γ: 81.896 ± 0.002°
• Cell volume: 987.09 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No