Information card for entry 7229343

Structure parameters

• Formula: C39 H48 Ba N4 Ni2 O18
• Calculated formula: C39 H48 Ba N4 Ni2 O18
• 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: 15.8005 ± 0.0003 Å
• b: 15.7041 ± 0.0003 Å
• c: 18.2762 ± 0.0004 Å
• α: 90°
• β: 94.551 ± 0.002°
• γ: 90°
• Cell volume: 4520.62 ± 0.16 ų
• Cell temperature: 294.06 ± 0.1 K
• Ambient diffraction temperature: 294.06 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No