Information card for entry 4069237

Structure parameters

• Formula: C35 H37 Cl2 Cr Mn O8 Si
• Calculated formula: C35 H37 Cl2 Cr Mn O8 Si
• SMILES: [Cr]12345([c]6([c]1([c]2([c]3([c]15[c]46[c]23[cH]4[Mn]562([cH]([c]36c2ccccc12)[cH]45)(C#[O])(C#[O])C#[O])OC)CC)CC)O[Si](C)(C)C(C)(C)C)(C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 11.512 ± 0.001 Å
• b: 15.137 ± 0.001 Å
• c: 21.125 ± 0.001 Å
• α: 90°
• β: 96.81 ± 0.01°
• γ: 90°
• Cell volume: 3655.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No