Information card for entry 4339614

Structure parameters

• Formula: C20 H38 Ce N6 Ni2 O18.5 S2
• Calculated formula: C20 H32 Ce N6 Ni2 O18.5 S2
• Title of publication: Three-dimensional 3d-4f polymers containing heterometallic rings: syntheses, structures, and magnetic properties.
• Authors of publication: Ouyang, Yan; Zhang, Wei; Xu, Na; Xu, Gong-Feng; Liao, Dai-Zheng; Yoshimura, Kazuyoshi; Yan, Shi-Ping; Cheng, Peng
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8454 - 8456
• a: 15.03 ± 0.016 Å
• b: 16.193 ± 0.018 Å
• c: 13.563 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301 ± 6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No