Information card for entry 7031600

Structure parameters

• Formula: C61 H106 Br3 Cl15 P6 Pt3
• Calculated formula: C61 H106 Br3 Cl15 P6 Pt3
• SMILES: c1c(ccc2c1C1c3c(C2c2c1cc(cc2)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)ccc(c3)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)[Pt](Br)([P](CC)(CC)CC)[P](CC)(CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Triptycene based organometallic complexes: a new class of acceptor synthons for supramolecular ensembles.
• Authors of publication: Chakraborty, Sourav; Mondal, Snehasish; Bhowmick, Sourav; Ma, Jianqiu; Tan, Hongwei; Neogi, Subhadip; Das, Neeladri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13270 - 13277
• a: 16.482 ± 0.005 Å
• b: 29.135 ± 0.005 Å
• c: 10.874 ± 0.005 Å
• α: 90°
• β: 112.156 ± 0.005°
• γ: 90°
• Cell volume: 4836 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No