Information card for entry 7104734

Structure parameters

• Formula: C128 H132 Cl4 Cu6 N16 O36 P4
• Calculated formula: C128 H122 Cl4 Cu6 N16 O36 P4
• Title of publication: First hexanuclear copper(II) pyrophosphate through hydrolysis of phosphodiester with a dicopper complex.
• Authors of publication: Sabiah, Shahulhameed; Varghese, Babu; Murthy, Narasimha N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5636 - 5638
• a: 15.99 ± 0.004 Å
• b: 16.422 ± 0.002 Å
• c: 16.724 ± 0.004 Å
• α: 105.052 ± 0.012°
• β: 103.96 ± 0.02°
• γ: 116.852 ± 0.018°
• Cell volume: 3440.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No