Information card for entry 4503003

Structure parameters

• Formula: C84 H112 Cl2 N8 Nd6 O32
• Calculated formula: C84 H112 Cl2 N8 Nd6 O32
• SMILES: [N]12=Cc3c(O[Nd]456782[O]2c9c(OC)cccc9C=[N]7C[C@H]7C[N]9=Cc%10cccc%11c%10[O]%10[Nd]%12%13%149([O]6[Nd]69%15%16%17([O]%184[C@H](C1)C[N]1[Nd]42%18([O]c2c(C=1)cccc2OC)([O]56)([O](C)c1cccc(c1[O]%154)C=[N]9C[C@@H]1[O]%16[Nd]24569([N](C1)=Cc1cccc(OC)c1[O]4[Nd]14%10(Oc%10c(C=[N]1C[C@@H]([O]%1264)C[N]2=Cc1cccc(OC)c1O5)cccc%10OC)([O]%11C)([O]%139)[OH]C)[O]%14%17)[OH]C)[OH]C)([O]87)[OH]C)c(ccc3)OC.CO.CO.[Cl-].CO.CO.[Cl-]
• Title of publication: Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes
• Authors of publication: Liao, Sen; Yang, Xiaoping; Jones, Richard A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 970
• a: 12.657 ± 0.003 Å
• b: 14.761 ± 0.002 Å
• c: 15.796 ± 0.003 Å
• α: 78.89 ± 0.03°
• β: 67.73 ± 0.04°
• γ: 69.17 ± 0.03°
• Cell volume: 2546.8 ± 1.2 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 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: 0.0485
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No