Information card for entry 7701770

Structure parameters

• Chemical name: di Ni POCOP iPr CB
• Formula: C38 H72 B10 Ni2 O4 P4 S2
• Calculated formula: C38 H72 B10 Ni2 O4 P4 S2
• Title of publication: The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone.
• Authors of publication: Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 13760 - 13768
• a: 18.7762 ± 0.0006 Å
• b: 15.5899 ± 0.0005 Å
• c: 17.68 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5175.3 ± 0.3 ų
• Cell temperature: 295.16 ± 0.1 K
• Ambient diffraction temperature: 295.16 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: 0.077
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No