Information card for entry 7009300

Structure parameters

• Formula: C11 H13 Br4 Cu2 N7 O
• Calculated formula: C11 H13 Br4 Cu2 N7 O
• SMILES: c1cccc2C(N)=[N]([Cu]([n]12)(Br)Br)[N]1=C(c2cncc[n]2[Cu]1(Br)Br)N.O
• Title of publication: Extended one- and two-dimensional copper(II) complexes with bridging (N‒N) diazine ligands: structural and magnetic studies †
• Authors of publication: Xu, Zhiqiang; White, Stephen; Thompson, Laurence K.; Miller, D. O.; Ohba, Masaaki; Ōkawa, Hisashi; Wilson, Claire; Howard, Judith A. K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1751
• a: 27.26 ± 0.004 Å
• b: 8.688 ± 0.008 Å
• c: 16.644 ± 0.005 Å
• α: 90°
• β: 100.45 ± 0.02°
• γ: 90°
• Cell volume: 3876 ± 4 ų
• Cell temperature: 299.2 K
• Ambient diffraction temperature: 299.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 1.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No