Information card for entry 7009685

Structure parameters

• Formula: C48 H48 F6 Mn N4 O8 P
• Calculated formula: C49 H48 F6 Mn2 N4 O13 P2
• Title of publication: Formation of dinuclear macrocyclic and mononuclear acyclic complexes of a new trinucleating hexaaza triphenolic Schiff base macrocycle: structure and NLO properties
• Authors of publication: Korupoju, Srinivas R.; Mangayarkarasi, Nagarathinam; Ameerunisha, Sardar; Valente, Edward J.; Zacharias, Panthappally S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2845
• a: 20.117 ± 0.004 Å
• b: 58.207 ± 0.012 Å
• c: 9.73 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11393 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 22
• Hermann-Mauguin space group symbol: F 2 2 2
• Hall space group symbol: F 2 2
• Residual factor for all reflections: 0.2138
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No