Information card for entry 4072917

Structure parameters

• Common name: Me2CCp2Mg.2THF
• Formula: C21 H30 Mg O2
• Calculated formula: C21 H30 Mg O2
• Title of publication: In Search of a Versatile Pathway toansa-Chromocene Complexes. Synthesis and Characterization of the Highly Unstableansa-Chromocene Carbonyl Complex Me2C(C5H4)2CrCO
• Authors of publication: Perrotin, Philippe; Shapiro, Pamela J.; Williams, Mark; Twamley, Brendan
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1823
• a: 14.3948 ± 0.0008 Å
• b: 8.3443 ± 0.0005 Å
• c: 15.8022 ± 0.0009 Å
• α: 90°
• β: 90.894 ± 0.001°
• γ: 90°
• Cell volume: 1897.84 ± 0.19 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.1289
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No