Information card for entry 4501588

Structure parameters

• Formula: C9 H29 Mn7.5 N45 O14.5 S2
• Calculated formula: C12 H26 Mn7.5 N42 O14.5 S2
• Title of publication: Syntheses, Crystal Structures, and Magnetic Properties of Two Mn(II) Coordination Polymers Based on the 5-Aminotetrazole Ligand: Effect of Sources of Ligand on Construction of Topological Networks
• Authors of publication: Wang, Tian-Wei; Liu, Dong-Sheng; Huang, Chang-Cang; Sui, Yan; Huang, Xi-He; Chen, Jian-Zhong; You, Xiao-Zeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 3429
• a: 21.015 ± 0.002 Å
• b: 21.015 ± 0.002 Å
• c: 21.015 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9280.9 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No