Information card for entry 7113624

Structure parameters

• Formula: C42 H52 Cr2 N4
• Calculated formula: C42 H52 Cr2 N4
• SMILES: c1(c(C)cccc1C)N1[Cr]23([N](=C(C=C1C)C)c1c(cccc1C)C)[H][Cr]13(N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)[H]2
• 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: 23.4971 ± 0.0013 Å
• b: 10.7216 ± 0.0006 Å
• c: 15.0645 ± 0.0009 Å
• α: 90°
• β: 92.485 ± 0.001°
• γ: 90°
• Cell volume: 3791.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103661
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No