Information card for entry 7227443

Structure parameters

• Formula: C4 H6 Cl2 N2 Zn
• Calculated formula: C4 H6 Cl2 N2 Zn
• SMILES: C(C)#[N][Zn]([N]#CC)(Cl)Cl
• Title of publication: Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)
• Authors of publication: Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 4510
• a: 12.7113 ± 0.0011 Å
• b: 9.9296 ± 0.0008 Å
• c: 6.5812 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 830.67 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No