Information card for entry 7104161

Structure parameters

• Formula: C60 H48 Cl9 Cu2 F6 N12 P Pt
• Calculated formula: C60 H48 Cl9 Cu2 F6 N12 P Pt
• SMILES: c1ccc2c3[n]1[Cu]145([Cu]6789[n]3c(cc2)N(c2ccccc2)[Pt]6(N(c2ccc3ccc[n]1c3[n]72)c1ccccc1)(N(c1ccc2ccc[n]4c2[n]81)c1ccccc1)N(c1ccc2ccc[n]5c2[n]91)c1ccccc1)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Asymmetric heterometal string complexes: stereochemical control of the unique isomer of (4,0)[CuCuPd(npa)4Cl][PF6] and (4,0)[CuCuPt(npa)4Cl][PF6].
• Authors of publication: Liu, Isiah Po-Chun; Chen, Chi-Hui; Chen, Chi-Fen; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 577 - 579
• a: 16.9276 ± 0.0002 Å
• b: 16.9276 ± 0.0002 Å
• c: 11.5475 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3308.86 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No