Information card for entry 7058819

Structure parameters

• Formula: C18 H29 B2 F8 N9 O Re6 Se8
• Calculated formula: C18 H24 B2 F8 N9 O Re6 Se8
• 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: 16.9966 ± 0.0011 Å
• b: 23.4741 ± 0.0015 Å
• c: 11.6818 ± 0.0006 Å
• α: 90°
• β: 96.5236 ± 0.0013°
• γ: 90°
• Cell volume: 4630.6 ± 0.5 ų
• Cell temperature: 155.15 K
• Ambient diffraction temperature: 155.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No