Information card for entry 7052646

Structure parameters

• Formula: C23 H31 K2 Mn5 Mo3 N22 O14
• Calculated formula: C23 H3 K2 Mn5 Mo3 N22 O14
• Title of publication: [K2Mn5{Mo(CN)7}3]: an open framework magnet with four Tc conversions orchestrated by guests and thermal history
• Authors of publication: Milon, Julie; Guionneau, Philippe; Duhayon, Carine; Sutter, Jean-Pascal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 1211
• a: 7.5253 ± 0.0003 Å
• b: 34.2257 ± 0.0013 Å
• c: 19.5251 ± 0.0008 Å
• α: 90°
• β: 90.483 ± 0.003°
• γ: 90°
• Cell volume: 5028.7 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No