Information card for entry 7710799

Structure parameters

• Formula: C23 H33 Cu F6 N5 O12 S2
• Calculated formula: C23 H33 Cu F6 N5 O12 S2
• Title of publication: Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(ii) complexes
• Authors of publication: Marcinkowski, Dawid; Adamski, Ariel; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Ślusarski, Tomasz; Açıkgöz, Muhammed; Szeliga, Daria; Vadra, Nahir; Karbowiak, Mirosław; Stefaniuk, Ireneusz; Rudowicz, Czesław; Gorczyński, Adam; Korabik, Maria
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.5535 ± 0.0007 Å
• b: 9.944 ± 0.0006 Å
• c: 17.773 ± 0.0011 Å
• α: 92.72 ± 0.005°
• β: 90.72 ± 0.005°
• γ: 94.166 ± 0.005°
• Cell volume: 1681.86 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0379
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No