Information card for entry 4131281

Structure parameters

• Formula: C110 H180 Co2 Ga2 Li2 N8 O8 P6
• Calculated formula: C110 H180 Co2 Ga2 Li2 N8 O8 P6
• SMILES: [Co]123([H][H]3)[P](C(C)C)(C(C)C)CN3[Ga]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]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 15.7589 ± 0.0011 Å
• b: 16.9042 ± 0.0014 Å
• c: 21.5439 ± 0.0017 Å
• α: 83.33 ± 0.003°
• β: 85.737 ± 0.002°
• γ: 87.113 ± 0.003°
• Cell volume: 5679.5 ± 0.8 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1186
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No