Information card for entry 1546412

Structure parameters

• Chemical name: 4,7-Me-CyMe4-BTPhen Eu(NO3)3 Complex
• Formula: C38 H45 Eu N12 O9
• Calculated formula: C38 H45 Eu N12 O9
• SMILES: c12c(C(CCC1(C)C)(C)C)nc1c3cc(c4c5c6c(c(cc7c8[n]([Eu]9%10%11([n]1n2)([n]35)([n]67)(ON(=O)=[O]%10)(ON(=[O]%11)=O)[O]=N(=O)O9)nc1C(CCC(c1n8)(C)C)(C)C)C)cc4)C.CC#N
• Title of publication: Transition metal-free, visible-light mediated synthesis of 1,10-phenanthroline derived ligand systems
• Authors of publication: Edwards, Alyn C.; Geist, Andreas; Müllich, Udo; Sharrad, Clint A.; Pritchard, Robin G.; Whitehead, Roger C.; Harwood, Laurence M.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 58
• Pages of publication: 8160 - 8163
• a: 10.6829 ± 0.0005 Å
• b: 11.9538 ± 0.0005 Å
• c: 17.4933 ± 0.0008 Å
• α: 88.385 ± 0.003°
• β: 77.936 ± 0.003°
• γ: 70.385 ± 0.003°
• Cell volume: 2055.67 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No