Information card for entry 1569591

Structure parameters

• Chemical name: Poly[[(μ-aqua)[μ~4~-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]
• Formula: C34 H38 Co2 N4 O11
• Calculated formula: C34 H38 Co2 N4 O11
• Title of publication: Poly[[(μ-aqua)[μ4-4-(carboxylatomethyl)benzoato]cobalt(II)] hemi[1,4-bis(pyridin-4-ylmethyl)piperazine] hemihydrate]
• Authors of publication: Gaskin, Gabrielle J.; LaDuca, Robert L.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 7
• a: 27.036 ± 0.006 Å
• b: 6.3093 ± 0.0013 Å
• c: 20.653 ± 0.005 Å
• α: 90°
• β: 105.536 ± 0.006°
• γ: 90°
• Cell volume: 3394.2 ± 1.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No