Information card for entry 7718400

Structure parameters

• Formula: C49 H52 B Cu F4 Fe2 N6 O3
• Calculated formula: C49 H52 B Cu F4 Fe2 N6 O3
• Title of publication: Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.
• Authors of publication: Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 6563 - 6575
• a: 11.1673 ± 0.0003 Å
• b: 14.5533 ± 0.0003 Å
• c: 15.2094 ± 0.0004 Å
• α: 85.632 ± 0.001°
• β: 71.016 ± 0.001°
• γ: 87.775 ± 0.001°
• Cell volume: 2330.35 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No