Information card for entry 7062495

Structure parameters

• Formula: C40 H32 Mn N4 O4
• Calculated formula: C40 H32 Mn N4 O4
• Title of publication: Investigation of novel Mn(ii) fenamato complexes with neocuproine and their effects on endometrial cell lines
• Authors of publication: Klepcová, Zuzana; Špaková, Ivana; Madreiter-Sokolowski, Corina T.; Graier, Wolfgang; Kalinová, Katarína; Samoľová, Erika; Smolková, Romana; Smolko, Lukáš; Rabajdová, Miroslava
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 13088 - 13097
• a: 9.6882 ± 0.0002 Å
• b: 13.2014 ± 0.0002 Å
• c: 25.3636 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3243.95 ± 0.1 ų
• Cell temperature: 95 ± 0.1 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for significantly intense reflections: 1.934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No