Information card for entry 7023990

Structure parameters

• Formula: C66 H105 I3 P6 Pt3
• Calculated formula: C66 H105 I3 P6 Pt3
• SMILES: c1c(c2ccc(C#C[Pt]([P](CC)(CC)CC)(I)[P](CC)(CC)CC)cc2)cc(cc1c1ccc(C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)cc1)c1ccc(C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)cc1
• Title of publication: Pt(II)6 nanoscopic cages with an organometallic backbone as sensors for picric acid.
• Authors of publication: Samanta, Dipak; Mukherjee, Partha Sarathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16784 - 16795
• a: 18.798 ± 0.004 Å
• b: 18.798 ± 0.004 Å
• c: 40.774 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12478 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No