Information card for entry 7019487

Structure parameters

• Formula: C29 H26 N2 Se2
• Calculated formula: C29 H26 N2 Se2
• SMILES: [Se](c1c2N3CN(Cc2cc(c1)C)c1c([Se]c2ccccc2)cc(cc1C3)C)c1ccccc1
• Title of publication: Synthesis and characterization of novel S,N and Se,N homodimetallic Ag(i)-complexes.
• Authors of publication: Cvengroš, Ján; Maennel, Elisabeth; Santschi, Nico
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7415 - 7422
• a: 9.4272 ± 0.0001 Å
• b: 10.0394 ± 0.0002 Å
• c: 13.2179 ± 0.0002 Å
• α: 81.999 ± 0.001°
• β: 83.059 ± 0.001°
• γ: 79.737 ± 0.001°
• Cell volume: 1213.05 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No