Information card for entry 7229357

Structure parameters

• Formula: C38 H38 Ba N4 O14 Zn2
• Calculated formula: C38 H38 Ba N4 O14 Zn2
• SMILES: [Ba]1234567[O]8[Zn]9%10([O]1c1c%11[O]4[Zn]4%12([O]3c3c([O]2CC)cccc3C=[N]4OCCO[N]%12=Cc%11c2c(c1C=[N]9OCCO[N]%10=Cc1c8c([O]7CC)ccc1)cccc2)OC(=[O]5)C)OC(=[O]6)C
• Title of publication: Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes
• Authors of publication: Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 77
• Pages of publication: 48730
• a: 12.6093 ± 0.0011 Å
• b: 13.4496 ± 0.0012 Å
• c: 15.4036 ± 0.0014 Å
• α: 111.422 ± 0.008°
• β: 100.715 ± 0.007°
• γ: 99.989 ± 0.007°
• Cell volume: 2304.7 ± 0.4 ų
• Cell temperature: 295.42 ± 0.1 K
• Ambient diffraction temperature: 295.42 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1442
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No