Information card for entry 7052614

Structure parameters

• Formula: C36 H45 N4 O12.5 S4 Zn2
• Calculated formula: C36 H36 N4 O12.5 S4 Zn2
• Title of publication: Synthesis, crystal structures, photoluminescence, and catalytic reactivity of novel coordination polymers (0-D, 1-D, 2-D to 3-D) constructed from cis-1,2-cyclohexanedicarboxylic acid and various bipyridyl ligands
• Authors of publication: Lee, Yu Jin; Kim, Eun Young; Kim, Soo Hyun; Jang, Seung Pyo; Lee, Tae Geum; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 833
• a: 10.3877 ± 0.0011 Å
• b: 10.6229 ± 0.0012 Å
• c: 23.554 ± 0.003 Å
• α: 96.562 ± 0.002°
• β: 98.759 ± 0.002°
• γ: 113.605 ± 0.002°
• Cell volume: 2309.4 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1458
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No