Information card for entry 8107056

Structure parameters

• Formula: C44 H38 N4 O8 Zn2
• Calculated formula: C44 H38 N4 O8 Zn2
• Title of publication: Crystal structure of poly-[(μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ4-2,2′-(1,3-phenylene)diacetate-κ4 O:O′:O′′:O′′′)dizinc(II)], C44H38N4O8Zn2
• Authors of publication: Xu, Chunying; Liu, Lu; Xinhua, Lou; Wang, Shimin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 939 - 941
• a: 9.5486 ± 0.0019 Å
• b: 10.578 ± 0.002 Å
• c: 11.088 ± 0.002 Å
• α: 98.7 ± 0.03°
• β: 102.22 ± 0.03°
• γ: 114.43 ± 0.03°
• Cell volume: 960 ± 0.5 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: 0.033
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No