Information card for entry 7031805

Structure parameters

• Formula: C100 H204 Cr6 Gd2 O50 P4
• Calculated formula: C100 H204 Cr6 Gd2 O49 P4
• Title of publication: Linking Cr3 triangles through phosphonates and lanthanides: synthetic, structural, magnetic and EPR studies.
• Authors of publication: Zangana, Karzan H.; Pineda, Eufemio Moreno; Vitorica-Yrezabal, Iñigo J; McInnes, Eric J. L.; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13242 - 13249
• a: 13.802 ± 0.0007 Å
• b: 27.527 ± 0.002 Å
• c: 19.718 ± 0.002 Å
• α: 90°
• β: 95.817 ± 0.007°
• γ: 90°
• Cell volume: 7452.8 ± 1 ų
• Cell temperature: 150.03 ± 0.18 K
• Ambient diffraction temperature: 150.03 ± 0.18 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: 0.1732
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No