Information card for entry 1515941

Structure parameters

• Formula: C37 H39 Br3 Cl Cu Hg N6 O3
• Calculated formula: C37 H39 Br3 Cl Cu Hg N6 O3
• Title of publication: Cu2±selective naked-eye and fluorescent probe: its crystal structure and application in bioimaging.
• Authors of publication: Yu, Fabiao; Zhang, Wenshen; Li, Ping; Xing, Yanlong; Tong, Lili; Ma, Jianping; Tang, Bo
• Journal of publication: The Analyst
• Year of publication: 2009
• Journal volume: 134
• Journal issue: 9
• Pages of publication: 1826 - 1833
• a: 9.5212 ± 0.0016 Å
• b: 11.861 ± 0.002 Å
• c: 17.621 ± 0.003 Å
• α: 92.939 ± 0.003°
• β: 94.128 ± 0.003°
• γ: 102.065 ± 0.002°
• Cell volume: 1936.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No