Information card for entry 7017293

Structure parameters

• Common name: H(SmV(TPPS)O)n
• Chemical name: H[SmV(TPPS)O]n
• Formula: C44 H26 N4 O13 S4 Sm V
• Calculated formula: C44 H24 N4 O13 S4 Sm V
• Title of publication: X-Ray crystal structure of [HSm{V(IV)O(TPPS)}](n) and encapsulation of nitrogen molecules in 1-D channels.
• Authors of publication: Chen, Wen-Tong; Yamada, Yusuke; Liu, Guang-Ning; Kubota, Akira; Ichikawa, Takayuki; Kojima, Yoshitsugu; Guo, Guo-Cong; Fukuzumi, Shunichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 48
• Pages of publication: 12826 - 12831
• a: 15.368 ± 0.003 Å
• b: 15.368 ± 0.003 Å
• c: 9.914 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.4 ± 1 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 124
• Hermann-Mauguin space group symbol: P 4/m c c
• Hall space group symbol: -P 4 2c
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No