Information card for entry 4326874

Structure parameters

• Formula: C38 H55 B F12 N8 O13 Zn2
• Calculated formula: C38 H55 B F12 N8 O13 Zn2
• Title of publication: 11B NMR Sensing of d-Block Metal Ions in Vitro and in Cells Based on the Carbon-Boron Bond Cleavage of Phenylboronic Acid-Pendant Cyclen (Cyclen = 1,4,7,10-Tetraazacyclododecane)
• Authors of publication: Masanori Kitamura; Toshihiro Suzuki; Ryo Abe; Takeru Ueno; Shin Aoki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11568 - 11580
• a: 9.968 ± 0.006 Å
• b: 16.226 ± 0.008 Å
• c: 16.718 ± 0.009 Å
• α: 71.955 ± 0.018°
• β: 89.71 ± 0.02°
• γ: 77.42 ± 0.019°
• Cell volume: 2504 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No