Information card for entry 7008232

Structure parameters

• Formula: C12 H48 Mn2 Mo7 N8 O35
• Calculated formula: C12 H26 Mn2 Mo7 N8 O35
• Title of publication: Reactions of a {Mo16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation.
• Authors of publication: Long, De-Liang; Kögerler, Paul; Farrugia, Louis J.; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1372 - 1380
• a: 43.6128 ± 0.0004 Å
• b: 12.4342 ± 0.00001 Å
• c: 16.2899 ± 0.00001 Å
• α: 90°
• β: 111.201 ± 0.0003°
• γ: 90°
• Cell volume: 8235.97 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No