Information card for entry 7000958

Structure parameters

• Common name: Copper(i) chloride 4:1 complex with 3,6-dimethyl-1,2,4,5- tetrazine
• Chemical name: Copper(I) chloride 4:1 complex with 3,6-dimethyl-1,2,4,5-tetrazine
• Formula: C4 H6 Cl4 Cu4 N4
• Calculated formula: C4 H6 Cl4 Cu4 N4
• Title of publication: 1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions
• Authors of publication: Gural'skiy, Il'ya A.; Escudero, Daniel; Frontera, Antonio; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2856 - 2864
• a: 6.8143 ± 0.0009 Å
• b: 6.2582 ± 0.0008 Å
• c: 13.622 ± 0.0017 Å
• α: 90°
• β: 98.907 ± 0.004°
• γ: 90°
• Cell volume: 573.91 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No