Information card for entry 4073371

Structure parameters

• Formula: C52.5 H47 Cl5 O P4 Pt2
• Calculated formula: C52.5 H45 Cl5 O P4 Pt2
• SMILES: C1=C[P](c2ccccc2)(c2ccccc2)[Pt]([P](C=C[P](c2ccccc2)(c2ccccc2)[Pt]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)Cl.O
• Title of publication: Self-Assembly of Metallamacrocycles via a Rigid Phosphorus Donor Linker#
• Authors of publication: Ghosh, Sushobhan; Mukherjee, Partha Sarathi
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3362
• a: 10.8981 ± 0.0008 Å
• b: 13.8392 ± 0.001 Å
• c: 18.6187 ± 0.0014 Å
• α: 93.896 ± 0.006°
• β: 106.842 ± 0.006°
• γ: 108.217 ± 0.006°
• Cell volume: 2513.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No