Information card for entry 7043631

Structure parameters

• Formula: C35 H33 Cl2 Fe N3 O7
• Calculated formula: C35 H33 Cl2 Fe N3 O7
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)c1cn([C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](c3cc4c(cc23)OCO4)c2cc(c(c(c2)OC)OC)OC)nn1.C(Cl)Cl
• Title of publication: Synthesis and evaluation of biological properties of ferrocenyl-podophyllotoxin conjugates
• Authors of publication: Wieczorek, Anna; Błauż, Andrzej; Makal, Anna Maria; Rychlik, Blazej; Plazuk, Damian
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.0847 ± 0.0005 Å
• b: 10.8676 ± 0.0006 Å
• c: 15.5684 ± 0.0008 Å
• α: 91.649 ± 0.002°
• β: 92.198 ± 0.002°
• γ: 111.501 ± 0.003°
• Cell volume: 1584.65 ± 0.15 ų
• Cell temperature: 89.9 ± 0.2 K
• Ambient diffraction temperature: 89.9 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No