Information card for entry 4129722

Structure parameters

• Formula: C35 H56 Br2 Cl2 N4 O2 Zn2
• Calculated formula: C35 H56 Br2 Cl2 N4 O2 Zn2
• SMILES: [Zn]123(Br)[O]4[Zn]56(Br)[O]3c3c7C[NH]2CC(C[NH]1Cc1c4c(C[NH]6CC(C[NH]5Cc3cc(c7)C(C)(C)C)(C)C)cc(c1)C(C)(C)C)(C)C.C(Cl)Cl
• Title of publication: Greater than the Sum of Its Parts: A Heterodinuclear Polymerization Catalyst.
• Authors of publication: Garden, Jennifer A.; Saini, Prabhjot K.; Williams, Charlotte K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 48
• Pages of publication: 15078 - 15081
• a: 11.91397 ± 0.00013 Å
• b: 25.1896 ± 0.0003 Å
• c: 26.0022 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7803.47 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No