Information card for entry 4501014

Structure parameters

• Formula: C58 H60 Co2 N2 O12 S4
• Calculated formula: C58 H60 Co2 N2 O12 S4
• Title of publication: Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands
• Authors of publication: Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4059
• a: 14.6467 ± 0.001 Å
• b: 14.6467 ± 0.001 Å
• c: 13.7488 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No