Information card for entry 8101821

Structure parameters

• Chemical name: tris[bis(penthamethylene)urea]trinitrato-lanthanum(III)
• Formula: C33 H60 La N9 O12
• Calculated formula: C33 H60 La N9 O12
• SMILES: [La]123([O]=C(N4CCCCC4)N4CCCCC4)([O]=C(N4CCCCC4)N4CCCCC4)([O]=C(N4CCCCC4)N4CCCCC4)(ON(=[O]1)=O)(ON(=[O]2)=O)ON(=[O]3)=O
• Title of publication: Crystal structure of tris[bis(pentamethylene)urea]trinitrato-lanthanum (III), La(NO~3~)~3~[(C~5~H~10~N)~2~CO]~3~
• Authors of publication: R. Artali; G. Beretta; D. M. Arújo Melo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 457 - 459
• a: 10.158 ± 0.003 Å
• b: 21.971 ± 0.005 Å
• c: 19.301 ± 0.003 Å
• α: 90°
• β: 104.13 ± 0.02°
• γ: 90°
• Cell volume: 4177.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No