Information card for entry 4346379

Structure parameters

• Formula: C44 H57 N3 O2
• Calculated formula: C44 H57 N3 O2
• SMILES: Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)/C=N/c1c(Nc2c(/N=C/c3c(O)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2)C)ccc(c1)C
• Title of publication: Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites.
• Authors of publication: Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8744 - 8754
• a: 9.9973 ± 0.0003 Å
• b: 14.7313 ± 0.0005 Å
• c: 14.8047 ± 0.0005 Å
• α: 101.685 ± 0.003°
• β: 109.567 ± 0.003°
• γ: 95.189 ± 0.003°
• Cell volume: 1982.03 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0594
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No