Information card for entry 7052963

Structure parameters

• Formula: C176 H180 Cl4 N4 P4 Zr4
• Calculated formula: C176 H180 Cl4 N4 P4 Zr4
• Title of publication: N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere
• Authors of publication: Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 11
• Pages of publication: 2280
• a: 14.2392 ± 0.0012 Å
• b: 14.631 ± 0.0018 Å
• c: 18.0321 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3756.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No