Information card for entry 7020622

Structure parameters

• Formula: C56 H124 Er N19 Ni2 O41
• Calculated formula: C56 H84 Er N19 Ni2 O41
• Title of publication: Trinuclear nickel-lanthanide compounds.
• Authors of publication: Bhunia, Asamanjoy; Yadav, Munendra; Lan, Yanhua; Powell, Annie K.; Menges, Fabian; Riehn, Christoph; Niedner-Schatteburg, Gereon; Jana, Partha P.; Riedel, Radostan; Harms, Klaus; Dehnen, Stefanie; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2445 - 2450
• a: 16.2644 ± 0.0015 Å
• b: 16.3118 ± 0.0012 Å
• c: 19.407 ± 0.0014 Å
• α: 110.568 ± 0.005°
• β: 111.377 ± 0.006°
• γ: 88.898 ± 0.007°
• Cell volume: 4453.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1709
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No