Information card for entry 7207327

Structure parameters

• Formula: C28 H27.76 N4 Ni O7.38 S
• Calculated formula: C28 H24 N4 Ni O7.383 S
• Title of publication: Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties
• Authors of publication: Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1856
• a: 10.1202 ± 0.0016 Å
• b: 10.883 ± 0.0017 Å
• c: 13.409 ± 0.002 Å
• α: 70.501 ± 0.002°
• β: 87.561 ± 0.003°
• γ: 76.947 ± 0.003°
• Cell volume: 1355.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No