Information card for entry 4333029

Structure parameters

• Formula: C44 H50 N4 O
• Calculated formula: C44 H50 N4 O
• SMILES: Oc1c(c2nc(C(=N\c3c(cccc3C(C)C)C(C)C)\C)ccc2)cccc1c1nc(ccc1)C(=N\c1c(cccc1C(C)C)C(C)C)\C
• Title of publication: Spacially Confined M2Centers (M = Fe, Co, Ni, Zn) on a Sterically Bulky Binucleating Support: Synthesis, Structures and Ethylene Oligomerization Studies
• Authors of publication: Champouret, Yohan D. M.; Fawcett, John; Nodes, William J.; Singh, Kuldip; Solan, Gregory A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9890 - 9900
• a: 9.2269 ± 0.0015 Å
• b: 12.51 ± 0.002 Å
• c: 16.952 ± 0.003 Å
• α: 83.535 ± 0.003°
• β: 82.322 ± 0.004°
• γ: 70.485 ± 0.003°
• Cell volume: 1823 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No