Information card for entry 4336876

Structure parameters

• Formula: C64 H108 Cr4 N4 O Si4
• Calculated formula: C64 H108 Cr4 N4 O Si4
• SMILES: [Cr]123[Cr]456([Cr]789([Cr]%10(N(c%11c(cccc%11C(C)C)C(C)C)[Si]([CH2]7%10)(C)C)([O]7CCCC7)[N]8([Si](C)([CH2]49)C)c4c(C(C)C)cccc4C(C)C)[CH2]5[Si]([N]26c2c(C(C)C)cccc2C(C)C)(C)C)[CH2]1[Si](N3c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies
• Authors of publication: Chun-Yi Lin; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Fernande Grandjean; Gary J. Long; Nicholas F. Chilton; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13584 - 13593
• a: 10.2421 ± 0.0003 Å
• b: 16.2208 ± 0.0005 Å
• c: 40.7752 ± 0.0013 Å
• α: 90°
• β: 94.5098 ± 0.0013°
• γ: 90°
• Cell volume: 6753.2 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 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: 0.043
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes