Information card for entry 7043255

Structure parameters

• Formula: C15 H11 Cl3 Mn3 N6 O7
• Calculated formula: C15 H9 Cl3 Mn3 N6 O7
• 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: 15.466 ± 0.002 Å
• b: 15.466 ± 0.002 Å
• c: 7.0105 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1452.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No