Information card for entry 7030402

Structure parameters

• Formula: C67 H63 Co N2 O10 Y
• Calculated formula: C67 H63 Co N2 O10 Y
• SMILES: [Y]12345([O]6[Co]789([O]1c1c(cc(cc1[O]3C)C)C[N]9(CC[N]7(C)Cc1c6c([O]2C)cc(c1)C)C)[O]=C(c1ccccc1)C=C(O8)c1ccccc1)(OC(=CC(=[O]5)c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O4)c1ccccc1
• Title of publication: Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from exchange-coupled single ion magnets.
• Authors of publication: Xie, Qi-Wei; Wu, Shu-Qi; Shi, Wen-Bo; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11309 - 11316
• a: 11.2773 ± 0.0013 Å
• b: 11.4817 ± 0.0011 Å
• c: 23.93 ± 0.003 Å
• α: 102.194 ± 0.006°
• β: 92.759 ± 0.005°
• γ: 107.234 ± 0.005°
• Cell volume: 2872.2 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No