Information card for entry 8102334

Structure parameters

• Formula: C72 H60 N4 O13 Pr2
• Calculated formula: C72 H60 N4 O13 Pr2
• Title of publication: Crystal structure of tetrakis(2-2-methylbenzoato)-bis(2-methylbenzoato)-bis(1,10-phenanthroline)dipraseodymium(III) monohydrate, Pr2(C8H7O2)4(C8H7O2)2(C12H8N2)2 · H2O
• Authors of publication: Zhongfang Li; Suwen Wang; Wei Wang; Yunhui Dong; Xianjin Yu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 415
• a: 12.986 ± 0.003 Å
• b: 13.992 ± 0.003 Å
• c: 20.889 ± 0.004 Å
• α: 101.18 ± 0.03°
• β: 93.88 ± 0.03°
• γ: 115.82 ± 0.03°
• Cell volume: 3301.7 ± 1.6 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: 0.1115
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No