Information card for entry 7107494

Structure parameters

• Formula: C44 H70 Cl N5 Rh Sc
• Calculated formula: C44 H70 Cl N5 Rh Sc
• SMILES: [Rh]12345678([c]9([c]1([cH]2[cH]3[cH]4[c]59C(C)C)C(C)C)N=[Sc]12(Cl)[N](c3c(cccc3C(C)C)C(C)C)=C(C)C=C(N1CC[N]2(CCN(C)C)C)C)[CH]1=[CH]6CC[CH]7=[CH]8CC1
• Title of publication: Reactivity of scandium terminal imido complexes towards metal halides
• Authors of publication: Erli Lu; Qinghai Zhou; Yuxue Li; Jiaxiang Chu; Yaofeng Chen; Xuebing Leng; Jie Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3403
• a: 13.252 ± 0.0012 Å
• b: 22.398 ± 0.002 Å
• c: 15.4942 ± 0.0014 Å
• α: 90°
• β: 110.355 ± 0.001°
• γ: 90°
• Cell volume: 4311.8 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No