Information card for entry 7210332

Structure parameters

• Chemical name: Rh_2_L1_2_CF3COO_2
• Formula: C44 H28 F16 O10 Rh2
• Calculated formula: C44 H28 F16 O10 Rh2
• SMILES: C1(C(F)(F)F)=[O][Rh]234([O]=C(c5ccc(cc5)C#Cc5c(F)c(F)c(F)c(F)c5F)O[Rh]4([O]=C(C(F)(F)F)O3)(O1)([O]=C(O2)c1ccc(cc1)C#Cc1c(F)c(F)c(F)c(F)c1F)[O]=C(CC)CC)[O]=C(CC)CC
• Title of publication: Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers
• Authors of publication: Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 6122
• a: 9.51 ± 0.005 Å
• b: 9.693 ± 0.006 Å
• c: 13.597 ± 0.008 Å
• α: 103.857 ± 0.005°
• β: 100.543 ± 0.004°
• γ: 107.06 ± 0.008°
• Cell volume: 1119.2 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No