Information card for entry 7238135

Structure parameters

• Formula: C76 H50 Mn2 N6 O8
• Calculated formula: C76 H50 Mn2 N6 O8
• Title of publication: Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties
• Authors of publication: Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 118
• Pages of publication: 722
• a: 13.687 ± 0.004 Å
• b: 15.018 ± 0.004 Å
• c: 17.572 ± 0.005 Å
• α: 82.449 ± 0.005°
• β: 75.466 ± 0.005°
• γ: 62.991 ± 0.005°
• Cell volume: 3114.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No