Information card for entry 7011462

Structure parameters

• Formula: C267 H295 Cl4 La2 N27 O12 U
• Calculated formula: C268 H286 Cl4 La2 N26 O12 U
• SMILES: [U]1234(Oc5c6cc(cc5Cc5c(c(cc(c5)C(C)(C)C)Cc5c(c(cc(c5)C(C)(C)C)Cc5c(c(cc(c5)C(C)(C)C)Cc5c(c(cc(c5)C(C)(C)C)Cc5c(c(cc(c5)C(C)(C)C)C6)O3)O)O[La](Cl)(Cl)([n]3ccccc3)([n]3ccccc3)([n]3ccccc3)[n]3ccccc3)O)O1)C(C)(C)C)Oc1c3cc(cc1Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)C3)O4)O)O[La](Cl)(Cl)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)O)O2)C(C)(C)C.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1.c1ccccn1
• Title of publication: Crystal structure determination of 4f‒5f heterometallic complexes
• Authors of publication: Pascal C. Leverd; David Rinaldo; Martine Nierlich
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 829 - 831
• a: 15.646 ± 0.003 Å
• b: 16.759 ± 0.003 Å
• c: 23.203 ± 0.005 Å
• α: 89.79 ± 0.03°
• β: 79.67 ± 0.03°
• γ: 87.41 ± 0.03°
• Cell volume: 5979 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.273
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.3055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No