Information card for entry 7025912

Structure parameters

• Formula: C48 H44 Gd2 N2 O14
• Calculated formula: C48 H44 Gd2 N2 O14
• 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: 20.0734 ± 0.0002 Å
• b: 20.0734 ± 0.0002 Å
• c: 9.1385 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3682.28 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9479
• Diffraction radiation wavelength: 0.4865 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No