Information card for entry 7119311

Structure parameters

• Formula: C43 H45 Cd N15 O8
• Calculated formula: C43 H45 Cd N15 O8
• Title of publication: Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.
• Authors of publication: Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 636 - 639
• a: 12.1538 ± 0.0009 Å
• b: 12.1574 ± 0.001 Å
• c: 16.1536 ± 0.0014 Å
• α: 77.045 ± 0.007°
• β: 82.55 ± 0.007°
• γ: 83.527 ± 0.007°
• Cell volume: 2297.8 ± 0.3 ų
• Cell temperature: 131.75 ± 0.1 K
• Ambient diffraction temperature: 131.75 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No