Information card for entry 7717457

Structure parameters

• Formula: C35 H46 Br0.03 Mn N6.97 O2
• Calculated formula: C35 H46 Br0.027 Mn N6.967 O2
• Title of publication: Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand.
• Authors of publication: Kunert, Romain; Martelino, Diego; Mahato, Samyadeb; Hein, Nicholas M.; Pulfer, Jason; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice; Storr, Tim
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 616 - 630
• a: 15.6595 ± 0.0007 Å
• b: 9.0777 ± 0.0005 Å
• c: 25.7615 ± 0.0013 Å
• α: 90°
• β: 90.347 ± 0.003°
• γ: 90°
• Cell volume: 3662 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No