Information card for entry 8107219

Structure parameters

• Formula: C20 H15 Mn N3 O5
• Calculated formula: C20 H15 Mn N3 O5
• Title of publication: Crystal structure of catena-poly[qua-(μ2-2-aminoisophthalat-κ3 O,O′:O′′)(1,10-phenanthroline-κ2 N,N′)manganese(II)] C20H15MnN3O5
• Authors of publication: Huang, Guang; Chen, Xinyun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 797 - 799
• a: 10.0223 ± 0.0005 Å
• b: 9.3406 ± 0.0005 Å
• c: 18.6978 ± 0.001 Å
• α: 90°
• β: 99.322 ± 0.006°
• γ: 90°
• Cell volume: 1727.27 ± 0.16 ų
• Cell temperature: 249.99 ± 0.1 K
• Ambient diffraction temperature: 249.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No