Information card for entry 7053569

Structure parameters

• Formula: C48 H42 F36 Mn3 N6 O30 P6
• Calculated formula: C48 H42 F36 Mn3 N6 O30 P6
• Title of publication: C3 symmetric tris(phosphonate)-1,3,5-triazine ligand: homopolymetallic complexes and its radical anion
• Authors of publication: Maxim, Catalin; Matni, Adil; Geoffroy, Michel; Andruh, Marius; Hearns, Nigel G. R.; Clérac, Rodolphe; Avarvari, Narcis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 2319
• a: 10.7403 ± 0.0005 Å
• b: 14.6581 ± 0.0004 Å
• c: 15.8125 ± 0.0007 Å
• α: 112.201 ± 0.006°
• β: 97.921 ± 0.007°
• γ: 107.18 ± 0.005°
• Cell volume: 2112.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No