Information card for entry 7114757

Structure parameters

• Formula: C6 H27 Mn N18 O14 S0.5
• Calculated formula: C6 H20.02 Mn N18 O13.5 S0.5
• Title of publication: Synthesis and structure of the [MnIV(biguanide)3]4+ ion: the simplest source for water-stable manganese(iv)
• Authors of publication: Das, Gopal; Bharadwaj, Parimal K.; Ghosh, Debjani; Chaudhuri, Beauty; Banerjee, Rupendranath
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 323
• a: 17.2338 ± 0.0017 Å
• b: 15.8698 ± 0.0016 Å
• c: 18.3355 ± 0.0018 Å
• α: 90°
• β: 103.07 ± 0.01°
• γ: 90°
• Cell volume: 4884.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1614
• Residual factor for significantly intense reflections: 0.0943
• Weighted residual factors for significantly intense reflections: 0.2755
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No