Information card for entry 4320844

Structure parameters

• Formula: C54 H74 Li2 N4 S6 Zr
• Calculated formula: C58 H82 Li2 N4 S6 Zr
• Title of publication: Trigonal Prismatic vs Octahedral Coordination Geometry: Syntheses and Structural Characterization of Hexakis(arylthiolato) Zirconate Complexes
• Authors of publication: Jan C. Friese; Arndt Krol; Carsten Puke; Kristin Kirschbaum; Dean M. Giolando
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1496 - 1500
• a: 12.606 ± 0.002 Å
• b: 15.233 ± 0.002 Å
• c: 16.003 ± 0.004 Å
• α: 89.93 ± 0.01°
• β: 108 ± 0.02°
• γ: 94.42 ± 0.01°
• Cell volume: 2913.1 ± 1 ų
• Cell temperature: 213 ± 1 K
• Ambient diffraction temperature: 213 ± 1 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: 0.055
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.651
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No