Information card for entry 7027588

Structure parameters

• Formula: C36 H28 Br2 F8 Mn N4 O2 S4
• Calculated formula: C36 H26 Br2 F8 Mn N4 O2 S4
• SMILES: [Mn](Br)(Br)([n]1ccc(cc1)Sc1c(F)c(F)c(c(F)c1F)Sc1ccncc1)([n]1ccc(cc1)Sc1c(F)c(F)c(c(F)c1F)Sc1ccncc1)(OCC)OCC
• Title of publication: Diversity of chain, interwoven and network structures formed by metal complexes with 2,3,5,6-tetrafluoro-1,4-bis(4-pyridyl-sulfenyl)benzene †
• Authors of publication: Goodgame, David M. L.; Grachvogel, David A.; Holland, Stephanie; Long, Nicholas J.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3473
• a: 14.7441 ± 0.001 Å
• b: 9.6438 ± 0.0013 Å
• c: 27.253 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3875.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.1306
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No