Information card for entry 2019143

Structure parameters

• Chemical name: Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]copper(I)] tetrafluoroborate acetonitrile monosolvate]
• Formula: C32 H33 B Cu F4 N7
• Calculated formula: C32 H33 B Cu F4 N7
• SMILES: [Cu]12([n]3c4ccccc4n(c3CC)Cc3cccnc3)[n]3c4ccccc4n(c3CC)Cc3ccc[n](c3)[Cu]([n]3c4ccccc4n(c3CC)Cc3ccc[n](c3)[Cu]3([n]4cccc(Cn5c6c([n]([Cu]([n]7c8ccccc8n(c7CC)Cc7ccc[n]2c7)[n]2cccc(Cn7c8c([n]3c7CC)cccc8)c2)c5CC)cccc6)c4)[n]2c3ccccc3n(c2CC)Cc2cccnc2)[n]2c3ccccc3n(c2CC)Cc2ccc[n]1c2.N#CC.[B](F)(F)(F)[F-].N#CC.[B](F)(F)(F)[F-].N#CC.[B](F)(F)(F)[F-].N#CC.[B](F)(F)(F)[F-]
• Title of publication: One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole
• Authors of publication: Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1017 - 1021
• a: 9.3674 ± 0.0004 Å
• b: 12.5367 ± 0.0006 Å
• c: 13.315 ± 0.0007 Å
• α: 89.912 ± 0.002°
• β: 72.786 ± 0.002°
• γ: 84.599 ± 0.001°
• Cell volume: 1486.42 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes