Information card for entry 7043256

Structure parameters

• Formula: C21 H13 Cl3 Mn4 N8 O10
• Calculated formula: C21 H13 Cl3 Mn4 N8 O10
• Title of publication: Co-ligand Tuned Pyrimidine-2-carboxylate Mn(II) Complexes from 2D 63 Layer to Interpenetrated Srs-net
• Authors of publication: Sun, Rui; Gao, Su-Mei; Wang, Shao-Qiang; Song, Wei-Chao; zhao, Jiong Peng; liu, fuchen
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.197 ± 0.003 Å
• b: 13.197 ± 0.003 Å
• c: 16.739 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No