Information card for entry 7126933

Structure parameters

• Common name: Kurogi-Cr
• Chemical name: [CrCl(dme)](CHSiMe3)(Cl)2
• Formula: C15 H37 Cl4 Cr2 O4 Si
• Calculated formula: C12 H30 Cl4 Cr2 O4 Si
• SMILES: [Cr]1234([Cr]5([Cl]1)([Cl]2)(Cl)(C3[Si](C)(C)C)[O](C)CC[O]5C)(Cl)[O](C)CC[O]4C
• Title of publication: Cyclization of 5-alkynones with chromium alkylidene equivalents generated in situ from gem-dichromiomethanes.
• Authors of publication: Murai, Masahito; Taniguchi, Ryuji; Kurogi, Takashi; Shunsuke, Moritani; Takai, Kazuhiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 67
• Pages of publication: 9711 - 9714
• a: 6.5229 ± 0.0016 Å
• b: 20.072 ± 0.005 Å
• c: 10.299 ± 0.003 Å
• α: 90°
• β: 104.225 ± 0.003°
• γ: 90°
• Cell volume: 1307.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No