Information card for entry 7031000

Structure parameters

• Formula: C9 H16 Gd N O7
• Calculated formula: C9 H16 Gd N O7
• Title of publication: Cryogenic magneto-caloric effect and magneto-structural correlations in carboxylate-bridged Gd(iii) compounds.
• Authors of publication: Roubeau, O.; Lorusso, G.; Teat, S. J.; Evangelisti, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11502 - 11509
• a: 9.4084 ± 0.0005 Å
• b: 17.0945 ± 0.0009 Å
• c: 8.185 ± 0.0004 Å
• α: 90°
• β: 93.862 ± 0.002°
• γ: 90°
• Cell volume: 1313.42 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No