Information card for entry 7010873

Structure parameters

• Formula: C18 H12 B Cl3 Cu F4 N5
• Calculated formula: C18 H12 B Cl3 Cu F4 N5
• Title of publication: A Cu(I) coordination polymer employing a nonsteroidal aromatase inhibitor letrozole as a building block†
• Authors of publication: Yuan, Rong-Xin; Xiong, Ren-Gen; Abrahams, Brendan F.; Lee, Gene-Hsiang; Peng, Shie-Ming; Che, Chi-Ming; You, Xiao-Zeng
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 14
• Pages of publication: 2071
• a: 8.9646 ± 0.0003 Å
• b: 22.8924 ± 0.0009 Å
• c: 23.9497 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4915 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.2814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No