Information card for entry 7702738

Structure parameters

• Common name: [(acac)~2~Cr(ox)Er(HBpz~3~)~2~].2CH~2~Cl~2~
• Chemical name: lambda-Bis(pentane-2,4-dionato)chromium(III)(mu-oxalato)bis(hydridotris- (pyradolyl)borato)erbium(III) Bis(dichloromethane) Solvate
• Formula: C32 H38 B2 Cl4 Cr Er N12 O8
• Calculated formula: C32 H38 B2 Cl4 Cr Er N12 O8
• Title of publication: Solution NIR CD and MCD in 4f‒4f transitions of a series of chiral 3d‒4f dinuclear complexes: X-ray structures of (Λ-Δ)-[(acac)2CrIII(μ-ox)LnIII(HBpz3)2] (Ln = Sm, Ho and Er)
• Authors of publication: Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1416
• a: 15.552 ± 0.003 Å
• b: 21.287 ± 0.004 Å
• c: 14.191 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4698 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No