Information card for entry 7039243

Structure parameters

• Common name: Gd12
• Chemical name: Gd12
• Formula: C172 H418 Co Gd12 N24 O114 P12
• Calculated formula: C132 H250 Co Gd12 N11.9988 O104 P12
• Title of publication: A pseudo-icosahedral cage {Gd12} based on aminomethylphosphonate.
• Authors of publication: Zhang, Ze-Min; Zangana, Karzan H.; Kostopoulos, Andreas K.; Tong, Ming-Liang; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9041 - 9044
• a: 28.0168 ± 0.001 Å
• b: 28.0168 ± 0.001 Å
• c: 21.7936 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17106.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No