Information card for entry 2020213

Structure parameters

• Chemical name: Poly[bis(μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-)(μ~4~-homophthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')bis(pyridine-κ<i>N</i>)dicopper(II)]
• Formula: C19 H16 Cu2 N8 O4
• Calculated formula: C19 H16 Cu2 N8 O4
• SMILES: [Cu]123([O]=C4O[Cu]([n]5ccccc5)([n]5ccccc5)([N]1=N#N)[O]=C(O2)Cc1ccccc1C1=[O][Cu]2(OC(=[O][Cu](O1)([N]2=N#N)N=N#N)Cc1ccccc41)([n]1ccccc1)[n]1ccccc1)[N](=N#N)[Cu]12([O]=C4O[Cu]([n]5ccccc5)([n]5ccccc5)([N]1=N#N)[O]=C(O2)Cc1ccccc1C1=[O][Cu]2(OC(=[O][Cu](O1)([N]2=N#N)N=N#N)Cc1ccccc41)([n]1ccccc1)[n]1ccccc1)[N]3=N#N
• Title of publication: Structure and magnetic properties of a copper(II) coordination polymer based on azide, pyridine and homophthalic acid
• Authors of publication: Ma, Jie; Wang, Deng-Feng; Fan, Li-Qun; Zhou, Kang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 9.882 ± 0.004 Å
• b: 11.07 ± 0.003 Å
• c: 12.287 ± 0.004 Å
• α: 66.194 ± 0.018°
• β: 78.01 ± 0.02°
• γ: 63.966 ± 0.016°
• Cell volume: 1104.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0478
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes