Information card for entry 4330830

Structure parameters

• Common name: [LZn2Sr(OAc)2]_2CHCL3
• Formula: C40 H42 Cl6 N4 O14 Sr Zn2
• Calculated formula: C40 H42 Cl6 N4 O14 Sr Zn2
• SMILES: [Sr]1234567[O]8[Zn]9%10([N](=Cc%11c8c(cc(c%11)CC=C)[O]1C)OCCO[N]9=Cc1c([O]2%10)c2c(C=[N]8[Zn]9([O]4c4c(cc(cc4[O]5C)CC=C)C=[N]9OCCO8)([O]62)OC(=[O]7)C)cc1)OC(=[O]3)C.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Oligometallic Template Strategy for Synthesis of a Macrocyclic Dimer-Type Octaoxime Ligand for Its Cooperative Complexation
• Authors of publication: Shigehisa Akine; Toshio Tadokoro; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11478 - 11486
• a: 24.5784 ± 0.0014 Å
• b: 12.7449 ± 0.0007 Å
• c: 17.2856 ± 0.0009 Å
• α: 90°
• β: 117.123 ± 0.0019°
• γ: 90°
• Cell volume: 4819.2 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No