Information card for entry 7102470

Structure parameters

• Common name: Cr complex
• Formula: C51 H80 Cr Ge O6 Si6
• Calculated formula: C51 H80 Cr Ge O6 Si6
• SMILES: [Ge]1(OC(c2c1cccc2)=[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Thermal reactions of an overcrowded germacyclopropabenzene with group 6 metal hexacarbonyl complexes [M(CO)6](M = Cr, Mo, and W): a novel mode of CO insertion leading to the formation of cyclic germoxycarbene metal complexes.
• Authors of publication: Tajima, Tomoyuki; Sasaki, Takayo; Sasamori, Takahiro; Takeda, Nobuhiro; Tokitoh, Norihiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 402 - 403
• a: 11.8841 ± 0.0016 Å
• b: 13.7144 ± 0.0008 Å
• c: 19.802 ± 0.0009 Å
• α: 77.335 ± 0.004°
• β: 71.54 ± 0.003°
• γ: 84.6841 ± 0.0017°
• Cell volume: 2985.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No