Information card for entry 4131280

Structure parameters

• Formula: C112 H202 Al2 Co2 Li2 N8 O12 P6
• Calculated formula: C112 H202 Al2 Co2 Li2 N8 O12 P6
• SMILES: [Co]12[P](C(C)C)(C(C)C)CN3[Al]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.CCCCC
• 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: 12.3678 ± 0.0018 Å
• b: 13.938 ± 0.002 Å
• c: 36.575 ± 0.006 Å
• α: 90°
• β: 93.498 ± 0.007°
• γ: 90°
• Cell volume: 6293.1 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No