Information card for entry 4307838

Structure parameters

• Common name: (C8H4O4)3LaZn3(NO3)3(MeOH)7
• Formula: C31 H40 La N3 O28 Zn3
• Calculated formula: C31 H40 La N3 O28 Zn3
• SMILES: [La]1234567([O]8[Zn]9%10([O]=Cc%11c([O]5%10)c5c(cc%11)C=[O][Zn]%10([O]45)([O]3c3c4[O]2[Zn]2([O]=Cc5c(c8c(C=[O]9)cc5)[O]12)([O]=Cc4ccc3C=[O]%10)([OH]C)[OH]C)([OH]C)[OH]C)([OH]C)[OH]C)(ON(=[O]6)=O)ON(=[O]7)=O.O=N(=O)[O-].OC
• 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: 10.322 ± 0.004 Å
• b: 14.213 ± 0.006 Å
• c: 14.728 ± 0.007 Å
• α: 94.079 ± 0.018°
• β: 92.159 ± 0.016°
• γ: 95.342 ± 0.015°
• Cell volume: 2143.7 ± 1.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0576
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No