Information card for entry 7213644

Structure parameters

• Formula: C52 H46 Cd2 N6 O12 S2
• Calculated formula: C52 H46 Cd2 N6 O12 S2
• Title of publication: From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system
• Authors of publication: Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 1249
• a: 11.6947 ± 0.0002 Å
• b: 12.879 ± 0.0003 Å
• c: 17.9851 ± 0.0003 Å
• α: 82.552 ± 0.002°
• β: 71.924 ± 0.002°
• γ: 72.78 ± 0.002°
• Cell volume: 2457.59 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No