Information card for entry 1508396

Structure parameters

• Chemical name: [μ-2,2'-(2,8-Dimethyl-4,7,10,12-tetrahydrodi-imidazo[4,5-<i>c</i>:4',5'- <i>h</i>][1,6]diazecine-5,11(1<i>H</i>,6<i>H</i>)-diyl)bis(<i>N</i>,<i>N</i>- dimethylethanamine)]-tetra-aqua-di-copper(ii) tetrakis(tetrafluoridoborate)
• Formula: C20 H44 B4 Cu2 F16 N8 O4
• Calculated formula: C20 H44 B4 Cu2 F16 N8 O4
• Title of publication: Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template
• Authors of publication: Olguin, Juan; Bernes, Sylvain; Gasque, Laura
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 1357 - 1365
• a: 9.455 ± 0.002 Å
• b: 12.0445 ± 0.0017 Å
• c: 16.493 ± 0.002 Å
• α: 87.469 ± 0.01°
• β: 83.061 ± 0.014°
• γ: 75.465 ± 0.014°
• Cell volume: 1804.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No