Information card for entry 4322053

Structure parameters

• Formula: C138 H166 B2 Fe2 N12 S6 Sn
• Calculated formula: C138 H166 B2 Fe2 N12 S6 Sn
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1C[N]23CC[N]45[Fe]6782[N]1(CC4)Cc1c([S]6[Sn]24([S]7c6c(C3)ccc(c6)C(C)(C)C)([S]3c6c(C[N]79CC[N]%10%11CC[N]%12(CC7)[Fe]39%10([S]2c2c(C%11)ccc(c2)C(C)(C)C)[S]4c2c(C%12)ccc(c2)C(C)(C)C)ccc(c6)C(C)(C)C)[S]8c2c(C5)ccc(c2)C(C)(C)C)cc(cc1)C(C)(C)C.C(#N)C.C(#N)C.C(#N)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C.C(#N)C.C(#N)C
• Title of publication: Sn(III) and Ge(III) in the Thiophenolato-Bridged Complexes [LFeSnFeL]n+ and [LFeGeFeL]n+ (n = 2, 3; L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane)
• Authors of publication: Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Wolfram Meyer-Klaucke; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2632 - 2642
• a: 13.609 ± 0.001 Å
• b: 16.598 ± 0.002 Å
• c: 17.302 ± 0.002 Å
• α: 100.35 ± 0.02°
• β: 111.26 ± 0.02°
• γ: 111.67 ± 0.02°
• Cell volume: 3155.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.1086
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No