Information card for entry 7220822

Structure parameters

• Formula: C16 H22 N2 Ni O8
• Calculated formula: C16 H22 N2 Ni O8
• Title of publication: Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid
• Authors of publication: Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 5921
• a: 12.956 ± 0.002 Å
• b: 9.8991 ± 0.001 Å
• c: 16.96 ± 0.002 Å
• α: 90°
• β: 109.75 ± 0.002°
• γ: 90°
• Cell volume: 2047.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No