Information card for entry 7205229

Structure parameters

• Formula: C18 H12 Ni2 O12
• Calculated formula: C18 H12 Ni2 O12
• Title of publication: Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals
• Authors of publication: Karmakar, Anirban; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 350
• a: 10.0777 ± 0.0002 Å
• b: 11.0012 ± 0.0002 Å
• c: 15.0573 ± 0.0003 Å
• α: 72.949 ± 0.0012°
• β: 77.0468 ± 0.0011°
• γ: 81.3705 ± 0.001°
• Cell volume: 1548.98 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No