Information card for entry 4333477

Structure parameters

• Common name: [LZn2Ca(OAc)2](CHCl3)0.5(H2O)0.75
• Formula: C36.5 H38 Ca Cl1.5 N4 O14.75 Zn2
• Calculated formula: C36.5 H36.5 Ca Cl1.5 N4 O14.75 Zn2
• Title of publication: Oligometallic Template Strategy for Ring-Closing Olefin Metathesis: Highly Cis- and Trans-Selective Synthesis of a 32-Membered Macrocyclic Tetraoxime
• Authors of publication: Akine, Shigehisa; Kagiyama, Satoko; Nabeshima, Tatsuya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9525 - 9527
• a: 13.791 ± 0.003 Å
• b: 15.788 ± 0.004 Å
• c: 20.439 ± 0.004 Å
• α: 84.018 ± 0.01°
• β: 81.632 ± 0.01°
• γ: 73.877 ± 0.011°
• Cell volume: 4220.1 ± 1.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No