Information card for entry 1573264

Structure parameters

• Chemical name: Bis(azido-κ<i>N</i>^1^)bis(2,2'-dipyridylamine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iron(II) monohydrate
• Formula: C20 H20 Fe N12 O
• Calculated formula: C20 H20 Fe N12 O
• SMILES: [Fe]12(N=N#N)([n]3ccccc3Nc3cccc[n]13)([n]1ccccc1Nc1cccc[n]21)N=N#N.O
• Title of publication: Bis(azido-κN 1)bis(2,2′-dipyridylamine-κ2 N 1,N 1′)iron(II) monohydrate
• Authors of publication: Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 11
• Pages of publication: x241116
• a: 7.7496 ± 0.0005 Å
• b: 9.3778 ± 0.0006 Å
• c: 16.6178 ± 0.001 Å
• α: 79.516 ± 0.003°
• β: 83.962 ± 0.003°
• γ: 69.52 ± 0.003°
• Cell volume: 1111.33 ± 0.12 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0736
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No