Information card for entry 7025904

Structure parameters

• Chemical name: catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)
• Formula: C24 H22 Gd N O7
• Calculated formula: C24 H22 Gd N O7
• Title of publication: The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.
• Authors of publication: Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7004 - 7011
• a: 22.4915 ± 0.0006 Å
• b: 22.4915 ± 0.0006 Å
• c: 9.164 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4635.8 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :1
• Hall space group symbol: P 4n -1n
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0509
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No