Information card for entry 7718401

Structure parameters

• Formula: C41 H39 Cl2 Fe N3 O P Pd
• Calculated formula: C35 H32 Cl2 Fe N3 O P Pd
• 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: 10.4177 ± 0.0005 Å
• b: 11.2424 ± 0.0005 Å
• c: 17.2508 ± 0.0007 Å
• α: 75.92 ± 0.002°
• β: 80.003 ± 0.002°
• γ: 73.492 ± 0.002°
• Cell volume: 1867.04 ± 0.15 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: 0.0209
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No