Information card for entry 1564649

Structure parameters

• Chemical name: ((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene hemi1,4-Dioxane
• Formula: C22 H24 Cl Fe N3 O S
• Calculated formula: C22 H24 Cl Fe N3 O S
• Title of publication: Probing ferrocene-based thiosemicarbazones and their transition metal complexes as cholinesterase inhibitors
• Authors of publication: Jawaria, Rifat; Hussain, Mazhar; Ahmad, Hafiz Badaruddin; Ashraf, Muhammad; Hussain, Safdar; Naseer, Muhammad Moazzam; Khalid, Muhamamd; Hussain, Muhammad Ajaz; al-Rashida, Mariya; Tahir, Muhammad Nawaz; Asim, Sumreen; Shafiq, Zahid
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119658
• a: 10.4519 ± 0.0006 Å
• b: 10.9195 ± 0.0006 Å
• c: 11.3018 ± 0.0008 Å
• α: 77.556 ± 0.003°
• β: 62.55 ± 0.002°
• γ: 74 ± 0.002°
• Cell volume: 1094.38 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0523
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No