Information card for entry 8106574

Structure parameters

• Formula: C20 H20 Mn N6 O7
• Calculated formula: C20 H20 Mn N6 O7
• Title of publication: Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(1H-pyrazole-3-carboxylato-κ2 N,O)manganese(II) trihydrate, C20H20N6O7Mn
• Authors of publication: Lei, Lü; Rudan, Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 473 - 475
• a: 10.317 ± 0.0009 Å
• b: 13.1061 ± 0.0012 Å
• c: 17.6919 ± 0.0015 Å
• α: 90°
• β: 108.231 ± 0.003°
• γ: 90°
• Cell volume: 2272.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0824
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No