Information card for entry 7035911

Structure parameters

• Chemical name: Rh_2_ppeb_4_PN
• Formula: C85 H66 F20 O13 Rh2
• Calculated formula: C85 H66 F20 O13 Rh2
• SMILES: O1C(c2ccc(C#Cc3c(c(c(c(c3F)F)F)F)F)cc2)=[O][Rh]234([Rh]1([O]=C(O2)c1ccc(cc1)C#Cc1c(c(c(c(c1F)F)F)F)F)(OC(=[O]3)c1ccc(cc1)C#Cc1c(c(c(c(c1F)F)F)F)F)([O]=C(CC)CC)[O]=C(O4)c1ccc(cc1)C#Cc1c(c(c(c(c1F)F)F)F)F)[O]=C(CC)CC.CCC(=O)CC.CCC(=O)CC.CCC(=O)CC
• Title of publication: Porous frameworks constructed by non-covalent linking of substitution-inert metal complexes.
• Authors of publication: Itoh, Takahiro; Kondo, Mio; Sakamoto, Hirotoshi; Wakabayashi, Kaori; Kanaike, Mari; Itami, Kenichiro; Masaoka, Shigeyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15334 - 15342
• a: 15.15258 ± 0.0007 Å
• b: 15.38444 ± 0.00038 Å
• c: 19.50868 ± 0.00042 Å
• α: 99.0549 ± 0.00072°
• β: 96.0045 ± 0.0007°
• γ: 112.859 ± 0.0007°
• Cell volume: 4069.1 ± 0.2 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: 0.0682
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No