Information card for entry 7207060

Structure parameters

• Formula: C17 H18 N6 O5.5 Zn
• Calculated formula: C17 H17 N6 O5.5 Zn
• Title of publication: A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties
• Authors of publication: Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 286
• a: 21.092 ± 0.005 Å
• b: 15.132 ± 0.005 Å
• c: 12.318 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.208 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3869 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2149
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No