Information card for entry 7208111

Structure parameters

• Formula: C8 H14 Ni2 O13
• Calculated formula: C8 H14 Ni2 O13
• Title of publication: Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers
• Authors of publication: Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4312
• a: 14.2531 ± 0.0012 Å
• b: 14.2531 ± 0.0012 Å
• c: 14.554 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2560.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No