Information card for entry 8107088

Structure parameters

• Formula: C39 H31 Cl2 N3 O6 Zn
• Calculated formula: C39 H31 Cl2 N3 O6 Zn
• Title of publication: Crystal structure of dichlorido{bis(2-hydroxyethyl)-5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylate-κ3 N,N′,N′′}zinc(II), C39H31Cl2N3O6Zn
• Authors of publication: Li, Yaping; Sun, Dajun; Ming, Julia; Su, Guanfang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1041 - 1042
• a: 20.717 ± 0.0016 Å
• b: 14.4553 ± 0.0011 Å
• c: 11.2717 ± 0.0008 Å
• α: 90°
• β: 90.072 ± 0.002°
• γ: 90°
• Cell volume: 3375.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No