Information card for entry 7027312

Structure parameters

• Common name: Tetrazinc N-bis(mercaptoethyl)benzylamine
• Formula: C46 H65 N4 O0.5 S8 Zn4
• Calculated formula: C46 H60 N4 O0.5 S8 Zn4
• Title of publication: The synthesis and structure of a neutral tetranuclear zinc(II) complex [Zn4(L)4] [LH2 = N,N-bis(2-mercaptoethyl)benzylamine]
• Authors of publication: Spencer, Douglas J. E.; Blake, Alexander J.; Parsons, Simon; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1041
• a: 13.926 ± 0.003 Å
• b: 14.593 ± 0.003 Å
• c: 14.631 ± 0.005 Å
• α: 88.9 ± 0.02°
• β: 88.7 ± 0.02°
• γ: 62.674 ± 0.014°
• Cell volume: 2640.7 ± 1.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0777
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No