Information card for entry 4317908

Structure parameters

• Formula: C19 H21 I3 La N9
• Calculated formula: C19 H15 I3 La N9
• SMILES: [La]123(I)(I)(I)([n]4c(C[N]3(Cc3[n]1ccnc3)Cc1[n]2ccnc1)cncc4)[N]#CC.N#CC
• Title of publication: Structural and Density Functional Studies of Uranium(III) and Lanthanum(III) Complexes with a Neutral Tripodal N-Donor Ligand Suggesting the Presence of a U-N Back-Bonding Interaction
• Authors of publication: Marinella Mazzanti; Raphaël Wietzke; Jacques Pécaut; Jean-Marc Latour; Pascale Maldivi; Michael Remy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2389 - 2399
• a: 9.8436 ± 0.0006 Å
• b: 12.2206 ± 0.0008 Å
• c: 14.37 ± 0.001 Å
• α: 111.759 ± 0.001°
• β: 92.444 ± 0.001°
• γ: 108.956 ± 0.001°
• Cell volume: 1492.01 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No