Information card for entry 1569852

Structure parameters

• Chemical name: Poly[[(μ~3~-adamantane-1,3-dicarboxylato)aqua[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate]
• Formula: C23 H27 N3 Ni O7
• Calculated formula: C23 H27 N3 Ni O7
• Title of publication: Poly[[(μ3-adamantane-1,3-dicarboxylato)aqua[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with (4,4) topology
• Authors of publication: Travis, Jamelah Z.; LaDuca, Robert L.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 9
• a: 10.718 ± 0.004 Å
• b: 10.933 ± 0.003 Å
• c: 11.586 ± 0.003 Å
• α: 113.462 ± 0.004°
• β: 109.626 ± 0.004°
• γ: 96.053 ± 0.004°
• Cell volume: 1127.2 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No