Information card for entry 7058820

Structure parameters

• Formula: C21 H39 B2 F8 N9 O3 Re6 Te8
• Calculated formula: C21 H39 B2 F8 N9 O3 Re6 Te8
• Title of publication: Functionalization of [Re6Q8(CN)6]4− clusters by methylation of cyanide ligands
• Authors of publication: Mikhaylov, Maksim A.; Mironova, Alina D.; Brylev, Konstantin A.; Sukhikh, Taisiya S.; Eltsov, Ilia V.; Stass, Dmitri V.; Gushchin, Artem L.; Kitamura, Noboru; Sokolov, Maxim N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 16338
• a: 12.0153 ± 0.0004 Å
• b: 24.6284 ± 0.0008 Å
• c: 18.1398 ± 0.0005 Å
• α: 90°
• β: 101.353 ± 0.001°
• γ: 90°
• Cell volume: 5262.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No