Information card for entry 7013162

Structure parameters

• Common name: Tetrakis(mu-2- phenylbutyrate)bis(hydoridotris(pyrazolyl)borate) dineodymium(iii)
• Chemical name: Tetrakis(μ-2-phenylbutyrate)bis(hydoridotris(pyrazolyl)borate) dineodymium(III)
• Formula: C58 H64 B N12 Nd2 O8
• Calculated formula: C58 H52 B2 N12 Nd2 O8
• Title of publication: Synthesis, X-ray structures and NIR chiroptical properties of a series of dinuclear lanthanide(III) complexes [Ln~2~{μ-(S- or RS-pba)}~4~(HBpz~3~)~2~]; novel configurational chirality due to non-bonding Ln⋯O interactions
• Authors of publication: Subhan, Md. Abdus; Suzuki, Takayoshi; Fuyuhiro, Akira; Kaizaki, Sumio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3785 - 3791
• a: 11.661 ± 0.002 Å
• b: 12.258 ± 0.002 Å
• c: 12.637 ± 0.002 Å
• α: 80.239 ± 0.014°
• β: 68.926 ± 0.013°
• γ: 65.244 ± 0.013°
• Cell volume: 1530.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1283
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No