Information card for entry 2219108

Structure parameters

• Chemical name: Bis{2-[(4-bromophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N'</i>}copper(I) tetraphenylborate
• Formula: C48 H38 B Br2 Cu N4
• Calculated formula: C48 H38 B Br2 Cu N4
• SMILES: Brc1ccc([N]2[Cu]3([n]4ccccc4C=2)[n]2ccccc2C=[N]3c2ccc(Br)cc2)cc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis{2-[(4-bromophenyl)iminomethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}copper(I) tetraphenylborate
• Authors of publication: Mahmoudi, Ali; Hajikazemi, Maryam; Khalaj, Mehdi; Dehghanpour, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1019
• a: 11.7198 ± 0.001 Å
• b: 13.1527 ± 0.0011 Å
• c: 14.4735 ± 0.0012 Å
• α: 80.5034 ± 0.0009°
• β: 69.3835 ± 0.0008°
• γ: 89.5465 ± 0.0009°
• Cell volume: 2056.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes