Information card for entry 4331915

Structure parameters

• Formula: C46 H48 N7 Nd O21 Zn2
• Calculated formula: C46 H48 N7 Nd O21 Zn2
• SMILES: [Nd]12345([O]6[Zn]78([O]1c1c([O]2C)cccc1C=[N]7c1ccccc1[N]8=Cc1cccc(OC)c16)ON(=O)=O)([O]1[Zn]26([N](=Cc7cccc(OC)c17)c1ccccc1[N]6=Cc1cccc([O]5C)c1[O]42)[OH2])([O]=N(=O)O3)[OH2].O=N(=O)[O-].OCC.O
• Title of publication: Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes
• Authors of publication: Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4340 - 4345
• a: 14.0805 ± 0.0009 Å
• b: 13.9988 ± 0.0009 Å
• c: 26.2151 ± 0.0017 Å
• α: 90°
• β: 100.277 ± 0.001°
• γ: 90°
• Cell volume: 5084.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No