Information card for entry 2009853

Structure parameters

• Chemical name: Bis(tetra-phenyl phosphonium) octakis (mu~3~-chloro)-hexachloro-hexamolybdate
• Formula: C48 H40 Cl14 Mo6 P2
• Calculated formula: C48 H40 Cl14 Mo6 P2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl]12[Mo]345678(Cl)[Cl]9[Mo]%10%11%12%1315([Cl]1[Mo]5%14%15%16%17%11([Cl]%11[Mo]%18%19%206%15([Cl]3[Mo]27%12%16%11%19([Cl]%10%14)Cl)([Cl]5[Mo]89%131%17%20([Cl]4%18)Cl)Cl)Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (C~24~H~20~P)~2~[Mo~6~Cl~14~]
• Authors of publication: White, Mark A.; Pressprich, Mark R.; Coppens, Philip
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1087 - 1089
• a: 11.024 ± 0.001 Å
• b: 11.526 ± 0.002 Å
• c: 12.77 ± 0.002 Å
• α: 63.48 ± 0.01°
• β: 82.3 ± 0.01°
• γ: 86.33 ± 0.01°
• Cell volume: 1438.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No