Information card for entry 4069239

Structure parameters

• Formula: C34 H35 Cr Mn O8 Si
• Calculated formula: C34 H35 Cr Mn O8 Si
• SMILES: [Mn]1234([cH]5[cH]1[cH]2[c]13[c]45[c]23[c]4([Cr]5672([cH]4[cH]5[cH]6[cH]37)(C#[O])(C#[O])C#[O])c2c(c(c(c(c12)O[Si](C)(C)C(C)(C)C)CC)CC)OC)(C#[O])(C#[O])C#[O]
• Title of publication: Heterobimetallic Cr−Mn Complexes of Fused Arenes: Chromium-Templated Benzannulation of a Cymanthrene-Type Metal Carbene and Haptotropic Metal Migration along a Dibenzo[c,e]indene Platform†
• Authors of publication: Dubarle Offner, Julien; Fröhlich, Roland; Kataeva, Olga; Rose-Munch, Françoise; Rose, Eric; Dötz, Karl Heinz
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3004
• a: 7.372 ± 0.001 Å
• b: 14.481 ± 0.001 Å
• c: 15.609 ± 0.001 Å
• α: 96.46 ± 0.01°
• β: 91.2 ± 0.01°
• γ: 98.64 ± 0.01°
• Cell volume: 1635.7 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No