Information card for entry 7005969

Structure parameters

• Formula: C24 H20 F6 Mn N6 O2 P
• Calculated formula: C24 H20 F6 Mn N6 O2 P
• Title of publication: Synthesis, X-ray crystal structure and DFT calculations of bis(N-(2-picolyl)picolinamido)Mn(iii) hexafluorophosphate
• Authors of publication: Hazra, Sumita; Naskar, Subhendu; Mishra, Dipankar; Gorelsky, Serge I.; Figgie, Heike M.; Sheldrick, William S.; Chattopadhyay, Shyamal Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4143
• a: 8.993 ± 0.0018 Å
• b: 9.1411 ± 0.0018 Å
• c: 16.002 ± 0.003 Å
• α: 90°
• β: 99.17 ± 0.03°
• γ: 90°
• Cell volume: 1298.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No