Information card for entry 7017143

Structure parameters

• Formula: C120 H112 Nd4 O22
• Calculated formula: C120 H112 Nd4 O22
• Title of publication: Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.
• Authors of publication: Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12169 - 12179
• a: 12.378 ± 0.003 Å
• b: 15.353 ± 0.003 Å
• c: 15.713 ± 0.003 Å
• α: 66.73 ± 0.03°
• β: 69.06 ± 0.03°
• γ: 74.93 ± 0.03°
• Cell volume: 2537.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.773748 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No