Information card for entry 7033015

Structure parameters

• Formula: C16 H14 Co N16 O2
• Calculated formula: C16 H14 Co N16 O2
• SMILES: c1(c2nn3c(c4cncc[n]4[Co]43([OH2])(n3c(c5cncc[n]45)nc(c4n[nH]cn4)n3)[OH2])n2)n[nH]cn1
• Title of publication: Structural diversity of five new bitriazole-based complexes: luminescence, sorption, and magnetic properties.
• Authors of publication: Du, Li-Yun; Wang, Hui; Liu, Ge; Xie, Dong; Guo, Fu-Sheng; Hou, Lei; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1110 - 1119
• a: 12.288 ± 0.002 Å
• b: 7.6477 ± 0.0014 Å
• c: 20.84 ± 0.004 Å
• α: 90°
• β: 99.119 ± 0.004°
• γ: 90°
• Cell volume: 1933.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No