Information card for entry 4319627

Structure parameters

• Common name: {(mu-bmtz)[Cu(Ph3)2]2}(BF4) . 2 CH2Cl2
• Chemical name: (mu-(3,6-bis(2'-pyrimidyl)-1,2,4,5-tetrazine))bis[bis(triphenylphosphane) copper(I)] tetrafluoroborate-di-dichloromethane solvate
• Formula: C84 H70 B Cl4 Cu2 F4 N8 P4
• Calculated formula: C84 H70 B Cl4 Cu2 F4 N8 P4
• Title of publication: Dicopper(I) Complexes with Reduced States of 3,6-Bis(2'-pyrimidyl)-1,2,4,5-tetrazine: Crystal Structures and Spectroscopic Properties of the Free Ligand, a Radical Species, and a Complex of the 1,4-Dihydro Form
• Authors of publication: Markus Glöckle; Klaus Hübler; Hans-Jürgen Kümmerer; Gert Denninger; Wolfgang Kaim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2263 - 2269
• a: 26.215 ± 0.007 Å
• b: 22.122 ± 0.006 Å
• c: 18.114 ± 0.005 Å
• α: 90°
• β: 133.506 ± 0.014°
• γ: 90°
• Cell volume: 7619 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No