Information card for entry 7205150

Structure parameters

• Formula: C34 H22 N4 Ni2 O11
• Calculated formula: C34 H22 N4 Ni2 O11
• Title of publication: Synthesis, structural characterization and magnetic behavior of a 2D bi-layer MOF, {[Ni2(C5O5)2(bpe)2]·H2O}n (bpe = 1,2-bis(4-pyridyl)ethylene)
• Authors of publication: Wang, Chih-Chieh; Liu, Fang-Chen; Chiu, Chih-Kai; Song, You; Wang, Shih-Chi; Wang, Yu; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Yang, En-Che
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 118
• a: 7.9639 ± 0.0005 Å
• b: 24.3259 ± 0.0016 Å
• c: 16.0648 ± 0.001 Å
• α: 90°
• β: 90.412 ± 0.002°
• γ: 90°
• Cell volume: 3112.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0942
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No