Information card for entry 4075327

Structure parameters

• Formula: C38 H67 Cr Mg N4 Na
• Calculated formula: C38 H67 Cr Mg N4 Na
• SMILES: [Cr]123456789%10([C]%11(=[CH]1[CH]12[Na]2%12([N]%13([Mg](N%14C(CCCC%14(C)C)(C)C)[C]3=1%12[CH]4=[CH]5%11)C(CCCC%13(C)C)(C)C)[N](C)(C)CC[N]2(C)C)C)[c]1([cH]%10[cH]9[cH]8[cH]7[cH]61)C
• Title of publication: Synergic Para-Directed Monometalation of Bis(toluene)chromium by Alkali-Metal-Mediated Magnesiation
• Authors of publication: Andrikopoulos, Prokopis C.; Armstrong, David R.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2415
• a: 8.4126 ± 0.0005 Å
• b: 11.0513 ± 0.0007 Å
• c: 11.2962 ± 0.0008 Å
• α: 74.006 ± 0.003°
• β: 73.075 ± 0.003°
• γ: 85.554 ± 0.003°
• Cell volume: 965.83 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No