Information card for entry 7060144

Structure parameters

• Chemical name: Ni2(bpy)2L2
• Formula: C48 H54 Fe2 N6 Ni O4 P2
• Calculated formula: C20 H16 Fe4 N4 Ni O2 P1.2
• Title of publication: First example of Ugi's amine as a platform for the construction of chiral coordination polymers: synthesis and properties
• Authors of publication: Gilmanova, Leisan; Shekurov, Ruslan; Khrizanforov, Mikhail; Ivshin, Kamil; Kataeva, Olga; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Vasily, Miluykov
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2791 - 2794
• a: 11.3027 ± 0.0007 Å
• b: 11.3027 ± 0.0007 Å
• c: 17.8993 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2286.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.1235
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.304
• Weighted residual factors for all reflections included in the refinement: 0.3158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.537
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No