Information card for entry 7704809

Structure parameters

• Formula: C19 H15 Fe Mn N2 O5 S
• Calculated formula: C19 H15 Fe Mn N2 O5 S
• SMILES: [Fe]12345678([c]9(S(=O)(=O)N/N=C/[c]%10%11[cH]%12[Mn]%13%14%10(C#[O])(C#[O])(C#[O])[cH]%11[cH]%14[cH]%12%13)[cH]1[cH]2[cH]4[cH]39)[cH]1[cH]5[cH]6[cH]8[cH]71
• Title of publication: Novel multifunctional and multitarget homo- (Fe₂) and heterobimetallic [(Fe,M) with M = Re or Mn] sulfonyl hydrazones.
• Authors of publication: Huentupil, Yosselin; Chung, Patricio; Novoa, Néstor; Arancibia, Rodrigo; Roussel, Pascal; Oyarzo, Juan; Klahn, A. Hugo; Silva, Carlos; Calvis, Carme; Messeguer, Ramon; Bosque, Ramón; López, Concepción
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12249 - 12265
• a: 7.1339 ± 0.0003 Å
• b: 15.3593 ± 0.0006 Å
• c: 18.4395 ± 0.0007 Å
• α: 80.848 ± 0.0019°
• β: 84.4154 ± 0.0017°
• γ: 81.2946 ± 0.0017°
• Cell volume: 1966.19 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0426
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No