Information card for entry 2019315

Structure parameters

• Chemical name: 2,7-Bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene
• Formula: C21 H18 N4
• Calculated formula: C21 H18 N4
• SMILES: CC1(C)c2cc(ccc2c2c1cc(cc2)n1cncc1)n1cncc1
• Title of publication: The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride
• Authors of publication: Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1488 - 1493
• a: 6.616 ± 0.003 Å
• b: 15.683 ± 0.006 Å
• c: 8.545 ± 0.004 Å
• α: 90°
• β: 108.037 ± 0.005°
• γ: 90°
• Cell volume: 843 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No