Information card for entry 1570053

Structure parameters

• Chemical name: Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],
• Formula: C25 H29 N3 Ni O6
• Calculated formula: C25 H29 N3 Ni O6
• Title of publication: Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology
• Authors of publication: Travis, Jamelah Z.; LaDuca, Robert L.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 10
• a: 21.789 ± 0.003 Å
• b: 9.5494 ± 0.0012 Å
• c: 22.2 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4619.2 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No