Information card for entry 2204055

Structure parameters

• Chemical name: bis[(S,S)-1,2-dimethoxy-1,2-bis(1-methyl-1H-benzimidazol-2-yl)ethane]copper(II) bis(tetrafluoroborate) acetonitrile disolvate
• Formula: C44 H50 B2 Cu F8 N10 O4
• Calculated formula: C44 H50 B2 Cu F8 N10 O4
• Title of publication: A chiral facially coordinated Cu^II^ complex derived from a tridentate bis(benzimidazole) ligand: bis[(<i>S,S</i>)-1,2-dimethoxy-1,2-bis(1-methylbenzimidazol-2-yl)ethane]copper(II) bis(tetrafluoroborate) acetonitrile disolvate
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1147 - m1150
• a: 9.2286 ± 0.0005 Å
• b: 11.4896 ± 0.0006 Å
• c: 12.0277 ± 0.0007 Å
• α: 80.517 ± 0.004°
• β: 82.803 ± 0.004°
• γ: 73.69 ± 0.004°
• Cell volume: 1203.07 ± 0.12 ų
• Cell temperature: 238 ± 1 K
• Ambient diffraction temperature: 238 ± 1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes