Information card for entry 7103444

Structure parameters

• Chemical name: Bis-[2,6-bis-(N-{4-methylcarboxyphenyl}methyl)carbaldimino}pyridine]- copper(II) ditetrafluoroborate nitromethane solvate
• Formula: C51 H49 B2 Cu F8 N7 O10
• Calculated formula: C51 H49 B2 Cu F8 N7 O10
• 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: 10.6124 ± 0.0015 Å
• b: 10.6124 ± 0.0015 Å
• c: 39.273 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3830.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No