Information card for entry 4307172

Structure parameters

• Chemical name: bis[mu2-glutarato,O,O'-aquo-(2,2'bipyridine)-copper(II)] bis(orthoboric acid) tetrahydrated
• Formula: C30 H46 B2 Cu2 N4 O20
• Calculated formula: C30 H46 B2 Cu2 N4 O20
• SMILES: B(O)(O)O.[Cu]12([n]3ccccc3c3[n]1cccc3)(OC(=O)CCCC(=O)O[Cu]1([n]3c(c4cccc[n]14)cccc3)(OC(=O)CCCC(=O)O2)[OH2])[OH2].O.O.B(O)(O)O.O.O
• Title of publication: Syntheses, Crystal Structures, and Magnetic Properties of Metal-Organic Hybrid Materials of Cu(II): Effect of a Long Chain Dicarboxylate Backbone, and Counteranion in Their Structural Diversity
• Authors of publication: A. K. Ghosh; D. Ghoshal; E. Zangrando; J. Ribas; N. Ray Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3057 - 3071
• a: 8.748 ± 0.002 Å
• b: 10.528 ± 0.002 Å
• c: 12.232 ± 0.003 Å
• α: 101.13 ± 0.02°
• β: 94.29 ± 0.02°
• γ: 111.49 ± 0.02°
• Cell volume: 1015.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No