Information card for entry 7030339

Structure parameters

• Formula: C31.5 H29.5 Cu F12 N6 O1.5 P2 Pt S2
• Calculated formula: C31.5 H28.5 Cu F12 N6 O1.5 P2 Pt S2
• SMILES: [Pt]123([Cu]4([n]5ccccc5c5[n]4cccc5)([n]4c(S1)cccc4)[n]1c(S2)cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC.OC
• Title of publication: Hysteretic vapour response of a heterodinuclear platinum(ii)-copper(ii) complex derived from the dimer-of-dimer motif and the guest-absorbing site.
• Authors of publication: Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kouyama, Takahiko; Kato, Tatsuhisa; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7514 - 7521
• a: 19.733 ± 0.003 Å
• b: 16.767 ± 0.003 Å
• c: 24.665 ± 0.004 Å
• α: 90°
• β: 102.284 ± 0.003°
• γ: 90°
• Cell volume: 7974 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No