Information card for entry 4078408

Structure parameters

• Common name: 97042a
• Formula: C34 H58 Mn
• Calculated formula: C34 H58 Mn
• SMILES: [Mn]12345678([cH]9[c]1([c]2([c]3([c]49C(C)C)C(C)C)C(C)C)C(C)C)[cH]1[c]5([c]6([c]7([c]81C(C)C)C(C)C)C(C)C)C(C)C
• Title of publication: Steric Influence on the Structure, Magnetic Properties, and Reactivity of Hexa- and Octaisopropylmanganocene
• Authors of publication: Hays, Melanie L.; Burkey, David J.; Overby, Jason S.; Hanusa, Timothy P.; Sellers, Scott P.; Yee, Gordon T.; Young, Victor G.
• Journal of publication: Organometallics
• Year of publication: 1998
• Journal volume: 17
• Journal issue: 25
• Pages of publication: 5521
• a: 16.2998 ± 0.0009 Å
• b: 16.8944 ± 0.0009 Å
• c: 23.4009 ± 0.0013 Å
• α: 90°
• β: 92.322 ± 0.001°
• γ: 90°
• Cell volume: 6438.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections: 0.1886
• Weighted residual factors for significantly intense reflections: 0.157
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No