Information card for entry 2019316

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridodicopper(I)(<i>Cu</i>—<i>Cu</i>)]-μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene]
• Formula: C21 H18 Cl2 Cu2 N4 O0
• Calculated formula: C21 H18 Cl2 Cu2 N4
• SMILES: [Cu]([n]1ccn(c1)c1ccc2c(c1)C(C)(C)c1c2ccc(c1)n1ccnc1)[n]1ccn(c1)c1ccc2c3ccc(cc3C(C)(C)c2c1)n1cc[n]([Cu])c1.[Cu](Cl)[Cl-].[Cu](Cl)[Cl-]
• 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: 12.749 ± 0.009 Å
• b: 17.215 ± 0.011 Å
• c: 9.489 ± 0.006 Å
• α: 90°
• β: 100.402 ± 0.009°
• γ: 90°
• Cell volume: 2048 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No