Information card for entry 7708606

Structure parameters

• Chemical name: Zn-C
• Formula: C42 H58 N4 P2 Zn2
• Calculated formula: C42 H58 N4 P2 Zn2
• SMILES: [Zn]1([N](=C(P(c2ccccc2)c2ccccc2)N([Zn]([N](=C(P(c2ccccc2)c2ccccc2)N1C(C)C)C(C)C)CC)C(C)C)C(C)C)CC
• Title of publication: An Efficient Catalytic Method for Hydrophosphination of Heterocumulenes with Diethylzinc as Precatalyst without a Solvent
• Authors of publication: Zhang, Bingyi; Roesky, Herbert W.; Ma, Xiaoli; Yan, Ben; Ni, Congjian; Yu, Hailong; Yang, Zhi
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.4939 ± 0.0004 Å
• b: 14.3347 ± 0.0007 Å
• c: 18.6216 ± 0.0009 Å
• α: 101.438 ± 0.002°
• β: 98.239 ± 0.002°
• γ: 106.04 ± 0.001°
• Cell volume: 2088.01 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No