Information card for entry 7220882

Structure parameters

• Formula: C36 H62 Cr Cu4 Mo6 N8 O42
• Calculated formula: C36 H28 Cr Cu4 Mo6 N8 O42
• Title of publication: Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide
• Authors of publication: Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 37
• Pages of publication: 7038
• a: 10.8767 ± 0.0019 Å
• b: 12.698 ± 0.002 Å
• c: 14.373 ± 0.003 Å
• α: 113.644 ± 0.003°
• β: 92.071 ± 0.004°
• γ: 114.579 ± 0.003°
• Cell volume: 1603.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No