Information card for entry 7117224

Structure parameters

• Formula: C36 H21 N4 Ni2 O8
• Calculated formula: C36 H21 N4 Ni2 O8
• Title of publication: A new surfactant-introduction strategy for separating the pure single-phase of metal-organic frameworks
• Authors of publication: Jun Zhao; Yenan Wang; Wenwen Dong; Yapan Wu; Dongsheng Li; Bin Liu; Qichun Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9479
• a: 31.395 ± 0.015 Å
• b: 13.702 ± 0.007 Å
• c: 15.808 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6800 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No