Information card for entry 7230700

Structure parameters

• Formula: C6 Br6 Cs0.82 Mn Mo6 N6 O2 Se2
• Calculated formula: C6 Br6 Cs0.8156 Mn Mo6 N6 O2 Se2
• Title of publication: Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties
• Authors of publication: Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 3396
• a: 19.6163 ± 0.001 Å
• b: 10.2909 ± 0.0007 Å
• c: 13.8615 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2798.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No