Information card for entry 7244416

Structure parameters

• Chemical name: diaquabis(3-(5-methyl-1 <i>H</i>-pyrazol-3-yl)quinoxalin- 2(1<i>H</i>)-one)iron(II) nitrate dihydrate
• Formula: C24 H28 Fe N10 O12
• Calculated formula: C24 H28 Fe N10 O12
• Title of publication: Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity
• Authors of publication: Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 5324 - 5339
• a: 8.392 ± 0.003 Å
• b: 11.42 ± 0.004 Å
• c: 15.823 ± 0.006 Å
• α: 78.679 ± 0.004°
• β: 86.124 ± 0.004°
• γ: 80.487 ± 0.004°
• Cell volume: 1465.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No