Information card for entry 7007476

Structure parameters

• Common name: (Gd.DOTAM)Cl!3$.6H!2$O
• Chemical name: [Gd.DOTAM]Cl~3~.6H~2~O
• Formula: C16 H46 Br3 Gd N8 O11
• Calculated formula: C16 H40 Br3 Gd N8 O11
• Title of publication: On the role of the counter-ion in defining water structure and dynamics: order, structure and dynamics in hydrophilic and hydrophobic gadolinium salt complexes.
• Authors of publication: Thompson, Amber L.; Parker, David; Fulton, David A.; Howard, Judith A. K.; Pandya, Shashi U.; Puschmann, Horst; Senanayake, Kanthi; Stenson, Philip A.; Badari, Alessandra; Botta, Mauro; Avedano, Stefano; Aime, Silvio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 5605 - 5616
• a: 10.1223 ± 0.0007 Å
• b: 12.4165 ± 0.0009 Å
• c: 13.5247 ± 0.0008 Å
• α: 75.699 ± 0.003°
• β: 76.447 ± 0.003°
• γ: 83.308 ± 0.003°
• Cell volume: 1598.18 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No