Information card for entry 4307647

Structure parameters

• Formula: C140 H120 B2 Co4 N12 O10
• Calculated formula: C140 H120 B2 Co4 N12 O10
• SMILES: [Co]12345[O]6[Co]78([n]9ccccc9C[N]7(Cc7c6c(C[N]2(Cc2[n]1cccc2)Cc1cccc[n]31)cc(c7)c1cc2C[N]36[Co]79([O]%10[Co]%11%12([O]=C(O7)c7ccccc7)([N](Cc(c2%10)c1)(Cc1cccc[n]%111)Cc1cccc[n]%121)OC(c1ccccc1)=[O]9)([n]1ccccc1C6)[n]1ccccc1C3)Cc1cccc[n]81)([O]=C(c1ccccc1)O5)OC(c1ccccc1)=[O]4.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks
• Authors of publication: Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2224 - 2236
• a: 19.191 ± 0.009 Å
• b: 19.763 ± 0.006 Å
• c: 20.328 ± 0.009 Å
• α: 83.299 ± 0.009°
• β: 66.759 ± 0.006°
• γ: 81.316 ± 0.008°
• Cell volume: 6989 ± 5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1304
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No