Information card for entry 2103139

Structure parameters

• Formula: C74 H16 Cr
• Calculated formula: C150 H20 Cr2
• SMILES: c12c3c4c5c6c1c1c7c8c2c2c3c3c9c4c4c%10c%11c%12c%13c%14c%15c%16c%17c%18c%14c%14c%19c%20c%18c%18c%17c%17c(c7c%18c8c%20c2c%19c3c(c9%11)c%13%14)[C-]2c3c%17c%16c7c%15c%12c%10c8c(c54)c(c3c78)c6C12C12c3c4c5c6[C-]1c1c7c8c2c2c3c3c9c4c4c%10c%11c%12c%13c%14c%15c%16c%17c%18c%14c%14c%19c%20c%18c%18c%17c%17c(c7c%18c8c%20c2c%19c3c(c9%11)c%13%14)c2c3c%17c%16c7c%15c%12c%10c8c(c54)c(c3c78)c6c12.[Cr]123456789%10([cH]%11[cH]6[cH]7[cH]8[cH]9[c]%10%11C)[cH]6[cH]2[cH]1[cH]3[cH]4[c]56C.[Cr]123456789%10([cH]%11[cH]6[cH]7[cH]8[cH]9[c]%10%11C)[cH]6[cH]2[cH]1[cH]3[cH]4[c]56C
• Title of publication: Reversible dimerization of C~60~ molecules in the crystal structure of the bis(arene)chromium fulleride [Cr(C~7~H~8~)]~2~C~60~
• Authors of publication: Hönnerscheid, Andreas; Dinnebier, Robert; Jansen, Martin
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 482 - 488
• a: 13.6414 ± 0.0008 Å
• b: 13.8338 ± 0.0007 Å
• c: 13.8548 ± 0.0007 Å
• α: 91.83 ± 0.003°
• β: 116.776 ± 0.002°
• γ: 119.333 ± 0.0019°
• Cell volume: 1924.78 ų
• Ambient diffraction temperature: 235 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 0.86
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No