Information card for entry 7134115

Structure parameters

• Formula: C83 H81 B Cl3 Mn N4 O14
• Calculated formula: C83 H81 B Cl3 Mn N4 O14
• Title of publication: Photo-induced nitroxyl anion/HNO release from a nitrosyl complex of Mn(II)-porphyrinate.
• Authors of publication: Saha, Shankhadeep; Maity, Sayani; Samanta, Bapan; Ghosh, Riya; Bhattacharyya, Kalishankar; Mondal, Biplab
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 11
• Pages of publication: 2353 - 2356
• a: 15.425 ± 0.005 Å
• b: 22.911 ± 0.007 Å
• c: 25.451 ± 0.008 Å
• α: 90°
• β: 105.144 ± 0.009°
• γ: 90°
• Cell volume: 8682 ± 5 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 7
• 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: 0.142
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No