Information card for entry 4321334

Structure parameters

• Common name: [Zn(iPrDATI)2]
• Formula: C50 H48 Cl N6 O4 S2 Zn
• Calculated formula: C50 H48 Cl N6 O4 S2 Zn
• 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: 12.5699 ± 0.0003 Å
• b: 13.3766 ± 0.0003 Å
• c: 14.7858 ± 0.0002 Å
• α: 104.016 ± 0.001°
• β: 93.837 ± 0.002°
• γ: 100.807 ± 0.001°
• Cell volume: 2352.81 ± 0.09 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.1054
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No