Information card for entry 7030672

Structure parameters

• Formula: C39 H60 N12 O Zn4
• Calculated formula: C39 H60 N12 O Zn4
• SMILES: Cc1cc(C)n2C3n4c(C)cc([n]4[Zn]([n]12)([O]12[Zn]3(C3n4c(cc(C)[n]4[Zn]1([n]1n3c(C)cc1C)CC)C)C1n3c(cc(C)[n]3[Zn]2([n]2n1c(C)cc2C)CC)C)CC)C
• Title of publication: Unique formation of mono-, tetra- and nona-nuclear zinc complexes from protonolysis reactions of [Zn(dmpzm)Et2]
• Authors of publication: Cheng, Mei-Ling; Li, Hong-Xi; Liu, Lei-Lei; Wang, Hui-Hui; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 2012 - 2019
• a: 16.5114 ± 0.0019 Å
• b: 16.5114 ± 0.0019 Å
• c: 16.5114 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4501.4 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000751
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No