Information card for entry 8106531

Structure parameters

• Formula: C21 H21 Mn N2 O7
• Calculated formula: C21 H21 Mn N2 O7
• Title of publication: Crystal structure of poly[aqua-(2,2′-bipyridine-κN,N′)-(μ4-5,5′-(hexane-1,6-diyl)-bis(oxy)diisophthalato κ8 O 1,O 2:O 3,O 4:O 5,O 6:O 7,O 8)manganese(II)], C21H21MnN2O7
• Authors of publication: Liu, Lu; Zhang, Jin; Gao, Huiling; Deng, Shaoxin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 343 - 345
• a: 8.623 ± 0.0017 Å
• b: 9.967 ± 0.002 Å
• c: 13.257 ± 0.003 Å
• α: 80.92 ± 0.03°
• β: 78.53 ± 0.03°
• γ: 84.75 ± 0.03°
• Cell volume: 1100.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No