Information card for entry 4315865

Structure parameters

• Formula: C36 H27 Co N15 O
• Calculated formula: C36 H27 Co N15 O
• SMILES: [Co]123([n]4nc([nH]c4c4[n]1cccc4)c1ccncc1)(n1nc(nc1c1[n]2cccc1)c1ccncc1)n1nc(nc1c1[n]3cccc1)c1ccncc1.O
• Title of publication: DMF/H2O Volume Ratio Controls the Syntheses and Transformations of a Series of Cobalt Complexes Constructed Using a Rigid Angular Multitopic Ligand
• Authors of publication: Ai-Yun Fu; Yu-Lin Jiang; Yao-Yu Wang; Xiao-Nan Gao; Guo-Ping Yang; Lei Hou; Qi-Zhen Shi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5495 - 5502
• a: 10.7316 ± 0.0009 Å
• b: 12.7514 ± 0.0011 Å
• c: 13.1627 ± 0.0012 Å
• α: 112.16 ± 0.001°
• β: 94.879 ± 0.002°
• γ: 90.2 ± 0.001°
• Cell volume: 1660.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0579
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No