Information card for entry 2240136

Structure parameters

• Chemical name: Pentakis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1)
• Formula: C13 H50 Cl5 La N12
• Calculated formula: C12 H48 Cl3 La N12
• SMILES: C1C[NH2][La]2345([NH2]1)([NH2]CC[NH2]2)([NH2]CC[NH2]3)([NH2]CC[NH2]4)[NH2]CC[NH2]5.C(CN)N.[Cl-].[Cl-].[Cl-]
• Title of publication: Crystal structure of pentakis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1)
• Authors of publication: Sartain, Hope T.; Staples, Richard J.; Biros, Shannon M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 424 - 426
• a: 8.807 ± 0.0007 Å
• b: 14.653 ± 0.0012 Å
• c: 22.111 ± 0.0018 Å
• α: 90°
• β: 92.156 ± 0.0009°
• γ: 90°
• Cell volume: 2851.4 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes