Information card for entry 7207052

Structure parameters

• Formula: C46 H42 N8 Ni2 O12
• Calculated formula: C46 H38 N8 Ni2 O12
• 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: 7.429 Å
• b: 24.143 Å
• c: 24.275 Å
• α: 90°
• β: 96.58°
• γ: 90°
• Cell volume: 4325.24 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No