Information card for entry 7025046

Structure parameters

• Formula: C33 H25 Cl2 Cu N7 O9
• Calculated formula: C33 H25 Cl2 Cu N7 O9
• Title of publication: A novel bipyridine-based hexadentate tripodal framework with a strong preference for trigonal prismatic co-ordination geometries.
• Authors of publication: Knight, James C.; Alvarez, Santiago; Amoroso, Angelo J.; Edwards, Peter G.; Singh, Neha
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3870 - 3883
• a: 20.7459 ± 0.0004 Å
• b: 12.2533 ± 0.0003 Å
• c: 26.2774 ± 0.0006 Å
• α: 90°
• β: 99.311 ± 0.001°
• γ: 90°
• Cell volume: 6591.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No