Information card for entry 7041606

Structure parameters

• Formula: C44 H70 I2 N2 O2 P4 Pt2
• Calculated formula: C44 H70 I2 N2 O2 P4 Pt2
• SMILES: [Pt](I)([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1cccc(Oc2nc(Oc3cc(C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)ccc3)cnc2)c1
• Title of publication: Design of a flexible organometallic tecton: host-guest chemistry with picric acid and self-assembly of platinum macrocycles.
• Authors of publication: Jana, Achintya; Bhowmick, Sourav; Kaur, Supreet; Kashyap, Hemant K.; Das, Neeladri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1986 - 1995
• a: 7.468 ± 0.002 Å
• b: 17.475 ± 0.005 Å
• c: 21.22 ± 0.006 Å
• α: 107.089 ± 0.006°
• β: 99.752 ± 0.007°
• γ: 92.998 ± 0.007°
• Cell volume: 2593.4 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No