Information card for entry 4307839

Structure parameters

• Common name: [LZn3La(NO3)3(MeOH)2]
• Formula: C32 H32 La N9 O23 Zn3
• Calculated formula: C32 H32 La N9 O23 Zn3
• SMILES: [La]1234567([O]8[Zn]9%10([O]2c2c%11c%12ccc2C=[N]%10OCCO[N]9=Cc2c8c8c(cc2)C=[N]2[Zn]9([O]48)([N](OCCO2)=Cc2c(c4c(cc2)C=[N]2[Zn]([O]1%11)([O]64)([N](OCCO2)=C%12)[OH]C)[O]59)[OH]C)ON(=O)=O)(ON(=[O]7)=O)ON(=[O]3)=O
• Title of publication: Core/Shell Oligometallic Template Synthesis of Macrocyclic Hexaoxime
• Authors of publication: Shigehisa Akine; Shuichi Sunaga; Takanori Taniguchi; Hayato Miyazaki; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2959 - 2961
• a: 16.617 ± 0.004 Å
• b: 11.409 ± 0.002 Å
• c: 21.955 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4162.3 ± 1.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No