Information card for entry 7238260

Structure parameters

• Formula: C16 H12 Mn N10 O2
• Calculated formula: C16 H12 Mn N10 O2
• Title of publication: Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand
• Authors of publication: Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3886
• a: 9.6804 ± 0.0019 Å
• b: 8.6933 ± 0.0017 Å
• c: 19.83 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1668.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No