Information card for entry 7207055

Structure parameters

• Formula: C29 H40 N4 Ni2 O17
• Calculated formula: C29 H10 N4 Ni2 O17
• 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: 13.2776 ± 0.0004 Å
• b: 22.1202 ± 0.0006 Å
• c: 14.269 ± 0.0004 Å
• α: 90°
• β: 112.54 ± 0.004°
• γ: 90°
• Cell volume: 3870.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No