Information card for entry 2006928

Structure parameters

• Chemical name: Bis(η^5^-Pentamethylcyclopentadienyl)chromium(III) (η^5^- Pentamethylcyclopentadienyl)trichlorochromium(III)
• Formula: C30 H45 Cl3 Cr2
• Calculated formula: C30 H45 Cl3 Cr2
• SMILES: [Cr](Cl)(Cl)(Cl)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C.[Cr]([c]12C)([c]13C)([c]21C)([c]12C)([c]23)([c]12C)([c]13C)([c]21C)([c]12C)[c]23
• Title of publication: Structure of the Chromium(III) Salt [Cp^*^~2~Cr]^+^[Cp^*^CrCl~3~]^{-^}
• Authors of publication: Aldridge, Simon; Shang, Maoyu; Fehlner, Thomas P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 47 - 49
• a: 12.602 ± 0.002 Å
• b: 13.0428 ± 0.001 Å
• c: 19.074 ± 0.003 Å
• α: 90°
• β: 94.289 ± 0.007°
• γ: 90°
• Cell volume: 3126.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections: 0.1467
• Weighted residual factors for significantly intense reflections: 0.129
• Goodness-of-fit parameter for all reflections: 1.153
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No