Information card for entry 7007466

Structure parameters

• Common name: Tetra-aqua-(1,4,7,10-terakis(carbamoylmethyl)-1,7-diaza-4,10- diazoniumcyclodecane)-gadolinium penta-perchlorate trihydrate
• Chemical name: Tetra-aqua-(1,4,7,10-terakis(carbamoylmethyl)- 1,7-diaza-4,10-diazoniumcyclodecane)-gadolinium penta-perchlorate trihydrate
• Formula: C16 H48 Cl5 Gd N8 O31
• Calculated formula: C16 H48 Cl5 Gd N8 O31
• Title of publication: Structural characterisation of a diprotonated ligand lanthanide complex‒a key intermediate in lanthanide ion association and complex dissociation pathways.
• Authors of publication: Stenson, Philip A.; Thompson, Amber L.; Parker, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 27
• Pages of publication: 3291 - 3293
• a: 11.2765 ± 0.0005 Å
• b: 18.3391 ± 0.0007 Å
• c: 19.721 ± 0.0008 Å
• α: 90°
• β: 94.044 ± 0.001°
• γ: 90°
• Cell volume: 4068.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No