Information card for entry 7060738

Structure parameters

• Formula: C28 H32 I2 Mn N2 O6 P2
• Calculated formula: C28 H32 I2 Mn N2 O6 P2
• SMILES: [Mn](I)(I)([O]=P(N(C)C)(Oc1ccccc1)Oc1ccccc1)[O]=P(N(C)C)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence
• Authors of publication: Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 12871 - 12878
• a: 10.0153 ± 0.0008 Å
• b: 17.3133 ± 0.0014 Å
• c: 19.6665 ± 0.0016 Å
• α: 90°
• β: 103.495 ± 0.003°
• γ: 90°
• Cell volume: 3316 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No