Information card for entry 7229342

Structure parameters

• Formula: C42 H54 Cl4 N4 Ni2 O18 Sr
• Calculated formula: C42 H54 Cl4 N4 Ni2 O18 Sr
• SMILES: c12c([O]3C)cccc1C=[N]1OCCO[N]4=Cc5c6ccccc6c6C=[N]7OCCO[N]8=Cc9c(c(ccc9)[O]9C)[O]%10[Ni]78(OC(=[O]7)C)([OH]C)[O]8c6c5[O]5[Ni]14(OC(=[O]1)C)([OH]C)[O]2[Sr]135789%10.OC.C(Cl)Cl.OC.C(Cl)Cl
• Title of publication: Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties
• Authors of publication: Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 76
• Pages of publication: 48394
• a: 23.662 ± 0.0005 Å
• b: 17.8187 ± 0.0005 Å
• c: 12.4666 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5256.2 ± 0.2 ų
• Cell temperature: 154.89 ± 0.1 K
• Ambient diffraction temperature: 154.89 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No