Information card for entry 7710393

Structure parameters

• Formula: C28 H18 F6 N2 O4 P Re
• Calculated formula: C28 H18 F6 N2 O4 P Re
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Re]1789%1023456[c]2([cH]1[cH]7[cH]8[cH]9[cH]%102)N1C(=O)c2c(C1=O)cccc2)N1C(=O)c2c(C1=O)cccc2.FP(F)F.FP(F)F
• Title of publication: An Isoindoline Bridged [M(η6-arene)2]+ (M = Re, 99mTc) ansa-Arenophane and its Dinuclear Macrocycles with Axial Chirality
• Authors of publication: Alberto, Roger; Csucker, Joshua; Jo, Da Kyung; Nadeem, Qaisar; Blacque, Olivier; Fox, Thomas; Braband, Henrik
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.1963 ± 0.0003 Å
• b: 12.2113 ± 0.0005 Å
• c: 14.9263 ± 0.0006 Å
• α: 102.971 ± 0.004°
• β: 102.419 ± 0.004°
• γ: 92.903 ± 0.004°
• Cell volume: 1241.53 ± 0.09 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No