Information card for entry 4328245

Structure parameters

• Formula: C85 H88 F24 Mn2 N34 O10 P4
• Calculated formula: C85 H88 F24 Mn2 N34 O10 P4
• Title of publication: Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study
• Authors of publication: Paramita Kar; Rituparna Biswas; Michael G. B. Drew; Antonio Frontera; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1837 - 1851
• a: 10.961 ± 0.005 Å
• b: 14.261 ± 0.005 Å
• c: 35.488 ± 0.005 Å
• α: 83.934 ± 0.005°
• β: 84.808 ± 0.005°
• γ: 89.492 ± 0.005°
• Cell volume: 5494 ± 3 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: 0.1407
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2644
• Weighted residual factors for all reflections included in the refinement: 0.3025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No