Information card for entry 7706655

Structure parameters

• Formula: C28 H38 Br2 Mn N4 O2 P2
• Calculated formula: C28 H38 Br2 Mn N4 O2 P2
• SMILES: [Mn](Br)(Br)([O]=P(N(C)C)(N(C)C)c1cc2ccccc2cc1)[O]=P(N(C)C)(N(C)C)c1cc2ccccc2cc1
• Title of publication: Synthesis and photoluminescence of manganese(II) naphtylphosphonic diamide complexes.
• Authors of publication: Bortoluzzi, Marco; Ferraro, Valentina; Castro, Jesús
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3132 - 3136
• a: 11.3369 ± 0.0004 Å
• b: 16.9218 ± 0.0005 Å
• c: 17.2939 ± 0.0006 Å
• α: 90°
• β: 97.181 ± 0.001°
• γ: 90°
• Cell volume: 3291.65 ± 0.19 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: 0.0257
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No