Information card for entry 8106796

Structure parameters

• Formula: C16 H21 Mn N3 O10
• Calculated formula: C16 H21 Mn N3 O10
• Title of publication: Crystal structure of catena-poly[hexaaquabis(μ2-3-nitrophthalate-κ2 O:O′)-(μ2-1,4-bis(4-pyridylmethyl)piperazine-κ2 N:N′)dimanganese(II)] dihydrate, C32H42Mn2N6O20
• Authors of publication: Wei-Dong, Yin; Yu-Hao, Duan; Gui-Lian, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 97 - 99
• a: 10.2 ± 0.002 Å
• b: 19.893 ± 0.004 Å
• c: 11.3785 ± 0.0017 Å
• α: 90°
• β: 123.118 ± 0.012°
• γ: 90°
• Cell volume: 1933.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No