Information card for entry 7012432

Structure parameters

• Formula: C30 H32 Cl6 N4 O6 Zn2
• Calculated formula: C30 H32 Cl6 N4 O6 Zn2
• SMILES: C1CC[N]2[Zn]34([N]1=Cc1c5c(cc(c1)C)C=[N]1CCC[N]6=Cc7c(c(cc(c7)C)C=2)[O]4[Zn]16([O]35)OC(=O)C)OC(=O)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis and structure of mononuclear and binuclear zinc(ii) compartmental macrocyclic complexes
• Authors of publication: Atkins, Andrew J.; Black, Daniel; Finn, Rachel L.; Marin-Becerra, Armando; Blake, Alexander J.; Ruiz-Ramirez, Lena; Li, Wan-Sheung; Schröder, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1730
• a: 7.416 ± 0.002 Å
• b: 9.184 ± 0.002 Å
• c: 14.217 ± 0.003 Å
• α: 78.22 ± 0.03°
• β: 85.11 ± 0.04°
• γ: 82.28 ± 0.03°
• Cell volume: 937.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.0974
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No