Information card for entry 7704808

Structure parameters

• Formula: C19 H15 Fe N2 O5 Re S
• Calculated formula: C19 H15 Fe N2 O5 Re S
• SMILES: [Re]1234([cH]5[c]2(/C=N/NS(=O)(=O)[c]26[Fe]789%10%11%12%13([cH]2[cH]%10[cH]%11[cH]67)[cH]2[cH]%13[cH]9[cH]%12[cH]82)[cH]3[cH]4[cH]15)(C#[O])(C#[O])C#[O]
• 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: 12.6127 ± 0.0008 Å
• b: 7.7038 ± 0.0005 Å
• c: 22.0053 ± 0.0015 Å
• α: 90°
• β: 99.323 ± 0.002°
• γ: 90°
• Cell volume: 2109.9 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No