Information card for entry 7119310

Structure parameters

• Formula: C102 H98 Cd3 Cl6 K2 N36 O12
• Calculated formula: C102 H98 Cd3 Cl6 K2 N36 O12
• 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: 16.136 ± 0.003 Å
• b: 13.126 ± 0.003 Å
• c: 34.238 ± 0.007 Å
• α: 90°
• β: 90.19 ± 0.03°
• γ: 90°
• Cell volume: 7252 ± 3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.2903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No