Information card for entry 4109338

Structure parameters

• Common name: SIMOF-4a
• Formula: C34 H42 N4 Ni O14
• Calculated formula: C34 H32 N4 Ni O14
• Title of publication: Chiral Induction in the Ionothermal Synthesis of a 3-D Coordination Polymer
• Authors of publication: Zhuojia Lin; Alexandra M. Z. Slawin; Russell E. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4880 - 4881
• a: 11.1918 ± 0.0016 Å
• b: 11.1918 ± 0.0016 Å
• c: 31.561 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3953.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7848 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No