Information card for entry 1542556

Structure parameters

• Formula: C132.77 H131.15 I12 N24 O15.14 Zn6
• Calculated formula: C132.785 H131.15 I12 N24 O15.14 Zn6
• Title of publication: Structure determination of microbial metabolites by the crystalline sponge method
• Authors of publication: Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3910
• a: 36.3783 ± 0.0008 Å
• b: 14.6755 ± 0.0002 Å
• c: 31.2278 ± 0.0006 Å
• α: 90°
• β: 103.184 ± 0.002°
• γ: 90°
• Cell volume: 16232.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No