Information card for entry 7103381

Structure parameters

• Formula: C88 H74 Ag2 Cl6 N6 P4 Pt2 S8
• Calculated formula: C88 H74 Ag2 Cl6 N6 P4 Pt2 S8
• SMILES: C12=C3[S]([Pt]4([P](c5ccccc5)(c5ccccc5)CCC[P]4(c4ccccc4)c4ccccc4)S1)[Ag]1([n]4cccc5C(=C6SC7=C(S[Pt]8([P](c9ccccc9)(c9ccccc9)CCC[P]8(c8ccccc8)c8ccccc8)[S]7[Ag]7([n]8cccc9C(=C(S3)S2)c2c(c89)[n]7ccc2)Cl)S6)c2c(c45)[n]1ccc2)Cl.C(Cl)Cl.CC#N.N#CC.C(Cl)Cl
• Title of publication: Modular construction of a series of heteronuclear metallamacrocycles.
• Authors of publication: Baudron, Stéphane A; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 4558 - 4560
• a: 9.8721 ± 0.0002 Å
• b: 16.2902 ± 0.0004 Å
• c: 27.917 ± 0.0007 Å
• α: 90°
• β: 100.07 ± 0.001°
• γ: 90°
• Cell volume: 4420.41 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No