Information card for entry 7214627

Structure parameters

• Formula: C9 H22 Mn2 N2 O17 P2
• Calculated formula: C9 H22 Mn2 N2 O17 P2
• Title of publication: Solvent-free synthesis of new open-framework oxalate structures
• Authors of publication: Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5734
• a: 9.69 ± 0.0006 Å
• b: 14.4331 ± 0.0008 Å
• c: 29.8442 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4173.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No