Information card for entry 7135726

Structure parameters

• Chemical name: Al(qsal)2NCSeCH2Cl2
• Formula: C34 H24 Al Cl2 N5 O2 Se
• Calculated formula: C34 H24 Al Cl2 N5 O2 Se
• Title of publication: Quantitative evaluation of intermolecular interactions in Fe(III) spin crossover systems <i>via</i> metal dilution.
• Authors of publication: Miyake, Kanta; Zenno, Hikaru; Sekine, Yoshihiro; Kosaka, Wataru; Miyasaka, Hitoshi; Hayami, Shinya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 33
• Pages of publication: 8435 - 8438
• a: 10.0023 ± 0.0004 Å
• b: 11.3429 ± 0.0005 Å
• c: 13.8445 ± 0.0005 Å
• α: 92.051 ± 0.003°
• β: 98.084 ± 0.003°
• γ: 106.815 ± 0.004°
• Cell volume: 1483.78 ± 0.11 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No