Information card for entry 7114930

Structure parameters

• Formula: C36 H53 N6 Ni1.5 O10
• Calculated formula: C36 H53 N6 Ni1.5 O10
• Title of publication: Crystal engineering of a 3-D coordination polymer from 2-D building blocks
• Authors of publication: Prior, Timothy J.; Rosseinsky, Matthew J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 495
• a: 13.1698 ± 0.0009 Å
• b: 19.1965 ± 0.0012 Å
• c: 16.6969 ± 0.0011 Å
• α: 90°
• β: 108.967 ± 0.001°
• γ: 90°
• Cell volume: 3992 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.6923 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No