Information card for entry 7020442

Structure parameters

• Formula: C24 H20 Fe N2 O S
• Calculated formula: C24 H20 Fe N2 O S
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1
• Title of publication: Synthesis, characterization and antitumor activity of new ferrocene incorporated N,N'-disubstituted thioureas.
• Authors of publication: Lal, Bhajan; Badshah, Amin; Altaf, Ataf Ali; Tahir, Muhammad Nawaz; Ullah, Shafiq; Huq, Fazlul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14643 - 14650
• a: 11.0296 ± 0.0004 Å
• b: 31.572 ± 0.0013 Å
• c: 12.303 ± 0.0005 Å
• α: 90°
• β: 103.412 ± 0.002°
• γ: 90°
• Cell volume: 4167.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No