Information card for entry 7044445

Structure parameters

• Formula: C48 H42 Cr4 Mn2 N16 O49
• Calculated formula: C48 H40 Cr4 Mn2 N16 O49
• Title of publication: A novel oxalate-based three-dimensional coordination polymer showing magnetic ordering and high proton conductivity
• Authors of publication: Mon, Marta; Vallejo, Julia; Pasán, Jorge; Fabelo, Oscar; Train, Cyrille; Verdaguer, Michel; Ohkoshi, Shin-ichi; Tokoro, Hiroko; Nakagawa, Kosuke; Pardo, Emilio
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.8053 ± 0.0001 Å
• b: 18.8053 ± 0.0001 Å
• c: 43.3432 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13274.3 ± 0.16 ų
• Cell temperature: 45 ± 2 K
• Ambient diffraction temperature: 45 ± 2 K
• Number of distinct elements: 6
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.3485
• Weighted residual factors for all reflections included in the refinement: 0.3537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.744
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6691 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No