Information card for entry 4321336

Structure parameters

• Common name: [Co(BzDATI)2]
• Formula: C54.5 H48 Cl Co N6 O4.5 S2
• Calculated formula: C54.5 H48 Cl Co N6 O4.5 S2
• Title of publication: Aminotroponiminates as Ligands for Potential Metal-Based Nitric Oxide Sensors
• Authors of publication: Katherine J. Franz; Nisha Singh; Bernhard Spingler; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4081 - 4092
• a: 17.3577 ± 0.0005 Å
• b: 22.5064 ± 0.0007 Å
• c: 25.2381 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9859.5 ± 0.5 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No