Information card for entry 7103443

Structure parameters

• Chemical name: Bis-[2,6-bis-(N-{4-carboxyphenyl}methyl)carbaldimino}pyridine]copper(II) ditetrafluoroborate hemihydrate
• Formula: C46 H39 B2 Cu F8 N6 O8.5
• Calculated formula: C46 H38 B2 Cu F8 N6 O8.5
• Title of publication: A crystalline hydrogen-bonded network with a poly-catenate topology.
• Authors of publication: Salaudeen, A Abibat; Kilner, Colin A; Halcrow, Malcolm A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5200 - 5202
• a: 18.2288 ± 0.0013 Å
• b: 10.679 ± 0.0007 Å
• c: 25.053 ± 0.002 Å
• α: 90°
• β: 108.035 ± 0.004°
• γ: 90°
• Cell volume: 4637.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.085
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No