Information card for entry 7057779

Structure parameters

• Common name: Cu(NC5H4CH2SeC5N)I2
• Formula: C22 H20 Cu2 I2 N4 Se2
• Calculated formula: C22 H20 Cu2 I2 N4 Se2
• Title of publication: Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand
• Authors of publication: Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 17185
• a: 7.8651 ± 0.0004 Å
• b: 9.3649 ± 0.0005 Å
• c: 9.9211 ± 0.0005 Å
• α: 87.404 ± 0.002°
• β: 71.217 ± 0.002°
• γ: 71.497 ± 0.002°
• Cell volume: 654.75 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No