Information card for entry 2206709

Structure parameters

• Chemical name: Bis[2-(1,3-benzoxazol-2-yl)phenolato](1,10-phenanthroline)zinc(II)‒2-(1,3- benzoxazol-2-yl)phenol (2/1)
• Formula: C44.5 H28.5 N4.5 O5 Zn
• Calculated formula: C44.5 H28.5 N4.5 O5 Zn
• Title of publication: Bis[2-(1,3-benzoxazol-2-yl)phenolato](1,10-phenanthroline)zinc(II)‒2-(1,3-benzoxazol-2-yl)phenol (2/1)
• Authors of publication: Tong, Yi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1843 - m1845
• a: 9.5062 ± 0.0006 Å
• b: 11.4587 ± 0.0007 Å
• c: 16.5322 ± 0.0011 Å
• α: 92.931 ± 0.001°
• β: 101.219 ± 0.001°
• γ: 90.509 ± 0.001°
• Cell volume: 1763.78 ± 0.19 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: 0.0807
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes