Information card for entry 7103660

Structure parameters

• Formula: C46 H62 Cr2 N4 Si
• Calculated formula: C46 H62 Cr2 N4 Si
• SMILES: [Cr]123(N(C(=CC(=[N]2c2c(cccc2C)C)C)C)c2c(cccc2C)C)[Cr]2([H]1)([N](c1c(cccc1C)C)=C(C)C=C(N2c1c(cccc1C)C)C)[CH2]3[Si](C)(C)C
• Title of publication: A stable alkyl hydride of a first row transition metal
• Authors of publication: MacAdams, Leonard A.; Buffone, Gerald P.; Incarvito, Christopher D.; Golen, James A.; Rheingold, Arnold L.; Theopold, Klaus H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1164 - 1165
• a: 12.3363 ± 0.0001 Å
• b: 20.9724 ± 0.0003 Å
• c: 17.6709 ± 0.0003 Å
• α: 90°
• β: 106.01 ± 0.001°
• γ: 90°
• Cell volume: 4394.52 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.539
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No