Information card for entry 7034716

Structure parameters

• Formula: C84 H157 Gd5 N2 O47 P6
• Calculated formula: C84 H157 Gd5 N2 O47 P6
• Title of publication: Discrete {Gd(III)4M} (M = Gd(III) or Co(II)) pentanuclear complexes: a new class of metal-organophosphate molecular coolers.
• Authors of publication: Gupta, Sandeep K.; Dar, Aijaz A.; Rajeshkumar, Thayalan; Kuppuswamy, Subramaniam; Langley, Stuart K.; Murray, Keith S.; Rajaraman, Gopalan; Murugavel, Ramaswamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 5961 - 5965
• a: 14.11 ± 0.003 Å
• b: 16.918 ± 0.003 Å
• c: 25.38 ± 0.004 Å
• α: 99.378 ± 0.003°
• β: 90.744 ± 0.004°
• γ: 105.488 ± 0.003°
• Cell volume: 5750.3 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No