Information card for entry 7015936

Structure parameters

• Formula: C56 H72 Cl8 F42 N2 O12 W6
• Calculated formula: C56 H72 Cl8 F42 N2 O12 W6
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[W]1234567([W]89%10%11%12%13([W]%14%15%16%171([Cl]2[W]12%18%194%17([Cl]%15[W]4%15%10%161([Cl]8%14)([W]5%112([Cl]%124)([Cl]6%18)([Cl]%19%15)([Cl]7%13)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)([Cl]39)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(F)(F)C(F)(F)F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Highly luminescent complexes [Mo(6)X(8)(n-C(3)F(7)COO)(6)](2-) (X = Br, I).
• Authors of publication: Sokolov, Maxim N.; Mihailov, Maxim A.; Peresypkina, Eugenia V.; Brylev, Konstantin A.; Kitamura, Noboru; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6375 - 6377
• a: 12.4215 ± 0.0003 Å
• b: 17.936 ± 0.0006 Å
• c: 20.1925 ± 0.0006 Å
• α: 90°
• β: 103.296 ± 0.001°
• γ: 90°
• Cell volume: 4378.1 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No