Information card for entry 7052319

Structure parameters

• Formula: C91 H102 N6 O14 U2
• Calculated formula: C91 H102 N6 O14 U2
• SMILES: [U]12345(Oc6c7cc(cc6C=[N]4c4c([N]5=Cc5c(O1)c(cc(c5)C(C)(C)C)c1c5O[U]689([O]=C(C)C=C(O6)C)(OC(=CC(=[O]8)C)C)(OC(=CC(=[O]9)C)C)[n]6c(n(c8c6cccc8)Cc6c(O)c7cc(c6)C(C)(C)C)c5cc(c1)C(C)(C)C)cccc4)C(C)(C)C)(OC(=CC(=[O]2)C)C)[O]=C(C)C=C(O3)C.n1ccccc1.n1ccccc1
• Title of publication: Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle
• Authors of publication: Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 1220
• a: 15.5199 ± 0.0004 Å
• b: 16.7753 ± 0.0006 Å
• c: 18.1932 ± 0.0008 Å
• α: 77.591 ± 0.002°
• β: 81.494 ± 0.003°
• γ: 68.004 ± 0.002°
• Cell volume: 4277.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No