Information card for entry 4330694

Structure parameters

• Common name: [Ni(H2pyN2dien(Me3))] (Et4N)(OTf) DMF
• Formula: C40 H59 F3 N8 Ni O6 S
• Calculated formula: C40 H59 F3 N8 Ni O6 S
• Title of publication: Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features
• Authors of publication: Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11017 - 11029
• a: 12.4478 ± 0.0019 Å
• b: 13.12 ± 0.002 Å
• c: 15.302 ± 0.002 Å
• α: 76.443 ± 0.002°
• β: 80.907 ± 0.002°
• γ: 61.41 ± 0.002°
• Cell volume: 2130.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1899
• 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: Yes
• Has Fobs: No