Information card for entry 7052316

Structure parameters

• Formula: C72 H88 Cl4 N4 O8 U2
• Calculated formula: C72 H88 Cl4 N4 O8 U2
• SMILES: [U]12345([N]6=Cc7c(O2)c(cc(c7)C(C)(C)C)c2c7O[U]89([N](=Cc%10c(c(cc(c%10)C(C)(C)C)c%10c(O3)c(C=[N]1c1c6cccc1)cc(c%10)C(C)(C)C)O9)c1c([N]8=Cc7cc(c2)C(C)(C)C)cccc1)([Cl]4)([Cl]5)Cl)Cl.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: 11.8168 ± 0.0005 Å
• b: 12.6942 ± 0.0007 Å
• c: 12.9752 ± 0.0007 Å
• α: 86.737 ± 0.002°
• β: 65.501 ± 0.003°
• γ: 79.661 ± 0.004°
• Cell volume: 1742.02 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No