Information card for entry 8105621

Structure parameters

• Formula: C16 H20 B10 Cu N2 O5
• Calculated formula: C16 H20 B10 Cu N2 O5
• Title of publication: Crystal structure of catena-poly[aqua-(μ2-1,7-dicarba-closo-dodecaborane-1,7-dicarboxylato-κ2 O:O′)-(1,10-phenanthrolin-κ2 N,N′)copper(II)], C16H20B10CuN2O5
• Authors of publication: Liguo, Yang; Xin, Wang; Yongsheng, Niu; Haixiang, Song; Dayong, Tian; Linna, Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 291 - 293
• a: 7.4252 ± 0.0008 Å
• b: 13.5409 ± 0.0014 Å
• c: 23.02 ± 0.003 Å
• α: 90°
• β: 94.488 ± 0.001°
• γ: 90°
• Cell volume: 2307.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No