Information card for entry 1569083

Structure parameters

• Formula: C16 H16 Fe2 N2 O2
• Calculated formula: C16 H16 Fe2 N2 O2
• Title of publication: Diiron Aminocarbyne Complexes with NCE^- Ligands (E = O, S, Se).
• Authors of publication: Bresciani, Giulio; Zacchini, Stefano; Pampaloni, Guido; Bortoluzzi, Marco; Marchetti, Fabio
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 3251
• a: 8.7226 ± 0.0002 Å
• b: 12.4479 ± 0.0003 Å
• c: 14.1827 ± 0.0004 Å
• α: 90°
• β: 107.294 ± 0.001°
• γ: 90°
• Cell volume: 1470.31 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No