Information card for entry 4313905

Structure parameters

• Formula: C54 H50 Br2 Cu2 N2 P4 Se4
• Calculated formula: C54 H50 Br2 Cu2 N2 P4 Se4
• SMILES: C(#N)C.P1(c2ccccc2)(c2ccccc2)=[Se][Cu]2(Br)[Se](=P(C1)(c1ccccc1)c1ccccc1)[Cu]1(Br)[Se]2=P(CP(c2ccccc2)(c2ccccc2)=[Se]1)(c1ccccc1)c1ccccc1.C(#N)C
• Title of publication: Copper-Selenium Interactions: Influence of Alkane Spacer and Halide Anion in the Synthesis of Unusual Polynuclear Copper(I) Complexes with Bis(diphenylselenophosphinyl)alkanes
• Authors of publication: Tarlok S. Lobana; Rimple; Alfonso Castineiras; Peter Turner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4731 - 4737
• a: 12.221 ± 0.002 Å
• b: 15.965 ± 0.002 Å
• c: 14.204 ± 0.002 Å
• α: 90°
• β: 94.52 ± 0.003°
• γ: 90°
• Cell volume: 2762.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No