Information card for entry 7210779

Structure parameters

• Formula: C32 H24 Co N4 O14 S2
• Calculated formula: C32 H24 Co N4 O14 S2
• Title of publication: Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins
• Authors of publication: Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4181
• a: 17.9776 ± 0.0002 Å
• b: 17.9776 ± 0.0002 Å
• c: 22.3567 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7225.55 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No