Information card for entry 4319628

Structure parameters

• Common name: {(mu-H2bmtz)[Cu(Ph3)2]2}(BF4)2 . CH2Cl2
• Chemical name: (mu-(1,4-dihydro-3,6-bis(2'-pyrimidyl)-1,2,4,5-tetrazine)) bis[bis(triphenylphosphane)copper(I)] bis(tetrafluoroborate)-dichloromethane solvate
• Formula: C83 H70 B2 Cl2 Cu2 F8 N8 P4
• Calculated formula: C83 H70 B2 Cl2 Cu2 F8 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: 10.948 ± 0.002 Å
• b: 12.067 ± 0.002 Å
• c: 30.287 ± 0.006 Å
• α: 93.82 ± 0.03°
• β: 94.46 ± 0.03°
• γ: 101.6 ± 0.03°
• Cell volume: 3893.7 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No