Information card for entry 7052318

Structure parameters

• Formula: C96 H124 N4 O17 U2
• Calculated formula: C96 H124 N4 O17 U2
• SMILES: [U]12345([O]6[U]789%10([O]1c1c%11C=[N]5c5c([N]4=Cc4c6c(cc(c4)C(C)(C)C)c4c(O8)c(C=Nc6c(N=Cc8c(O7)c(c1cc(c%11)C(C)(C)C)cc(c8)C(C)(C)C)cccc6)cc(c4)C(C)(C)C)cccc5)(OC(=CC(=[O]9)C)C)[O]=C(C)C=C(O%10)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]3)C)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 16.2734 ± 0.0004 Å
• b: 29.7951 ± 0.001 Å
• c: 20.3134 ± 0.0005 Å
• α: 90°
• β: 111.161 ± 0.002°
• γ: 90°
• Cell volume: 9185.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No