Information card for entry 8102551

Structure parameters

• Chemical name: Poly-[Bis[aqua[Dipyrido[3,2-a:2',3'-c]phenazine] nickel(II)-4,4'-oxybis(benzoato)]] 2.5-water solvent
• Formula: C128 H90 N16 Ni4 O29
• Calculated formula: C128 H72 N16 Ni4 O29
• Title of publication: Crystal structure of bis{aqua[dipyrido[3,2-a:2',3'-c]-phenazine]-[4,4'-oxybis(benzoato)]nickel(II)} — water (1:2.5), [Ni(H2O)(C18H10N4)(C14H8O5)]2 · 2.5H2O
• Authors of publication: Shuang Han; Wan-Cheng Li; Dao-Cheng Xia; Dao-Peng Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 535
• a: 14.64 ± 0.005 Å
• b: 18.279 ± 0.005 Å
• c: 22.974 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.005 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6054 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No