Information card for entry 7207016

Structure parameters

• Formula: C30 H52 Cd2 Cl2 N6 O20
• Calculated formula: C30 H52 Cd2 Cl2 N6 O20
• SMILES: C1C[N]23CC[N]45CC[N]1([Cd]1635([O]3C(=[O][Cd]57893[N]3(CC[N]5(CC[N]8(CC3)CCC(=[O]7)O)CCC(=[O]6)[O]19)CCC(=O)O)CC2)[O]=C(CC4)O)CCC(=O)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks
• Authors of publication: Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1354
• a: 9.5334 ± 0.0019 Å
• b: 10.12 ± 0.002 Å
• c: 12.316 ± 0.002 Å
• α: 70.239 ± 0.003°
• β: 86.463 ± 0.003°
• γ: 70.013 ± 0.003°
• Cell volume: 1048.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No