Information card for entry 8101857

Structure parameters

• Chemical name: bis(1,10-phenanthroline-N,N')bis(4-fluorobenzoato-O,O')tetrakis(μ-4- fluorobenzoato-O,O')dineodymium (III)
• Formula: C66 H40 F6 N4 Nd2 O12
• Calculated formula: C66 H40 F6 N4 Nd2 O12
• Title of publication: Crystal structure of bis(1,10-phenanthroline-N,N')bis(4-fluorobenzoato- O,O')tetrakis(μ-4-fluorobenzoato-O,O')-dineodymium(III), Nd~2~ (C~6~H~4~FCOO)~6~(C~12~H~8~N~2~)~2~
• Authors of publication: Li, X.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 5 - 6
• a: 9.7988 ± 0.0013 Å
• b: 11.8583 ± 0.0015 Å
• c: 14.6273 ± 0.0019 Å
• α: 111.031 ± 0.002°
• β: 99.468 ± 0.002°
• γ: 102.265 ± 0.002°
• Cell volume: 1495.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No