Information card for entry 4131282

Structure parameters

• Formula: C58 H94.9 Co In Li N4 O4 P3
• Calculated formula: C58 H94.9 Co In Li N4 O4 P3
• SMILES: [Co]123([H][H]3)[P](C(C)C)(C(C)C)CN3[In]45N(C[P]2(C(C)C)C(C)C)c2c([N]5(c5c(N4C[P]1(C(C)C)C(C)C)cccc5)c1c3cccc1)cccc2.[Li]123([O](CC[O]1C)C)([O](CC[O]3C)C)[O](C)CC[O]2C.CCCCCC
• Title of publication: Stable Dihydrogen Complexes of Cobalt(-I) Suggest an Inverse trans-Influence of Lewis Acidic Group 13 Metalloligands.
• Authors of publication: Vollmer, Matthew V.; Xie, Jing; Lu, Connie C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 19
• Pages of publication: 6570 - 6573
• a: 11.409 ± 0.002 Å
• b: 12.13 ± 0.002 Å
• c: 23.099 ± 0.004 Å
• α: 98.56 ± 0.008°
• β: 90.383 ± 0.01°
• γ: 103.728 ± 0.01°
• Cell volume: 3067.8 ± 0.9 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No