Information card for entry 7203720

Structure parameters

• Common name: (Trisaqua(18-crown-6)gadolinium(iii)) hexacyanoferrate(iii) dihydrate
• Chemical name: [Trisaqua(18-crown-6)gadolinium(III)] hexacyanoferrate(III) dihydrate
• Formula: C18 H34 Fe Gd N6 O11
• Calculated formula: C18 H34 Fe Gd N6 O11
• Title of publication: Strongly hydrogen bonded interlocked infinite double helices in a crown ether based gadolinium(iii) hexacyanoferrate(iii) supramolecule
• Authors of publication: Rajesh Koner; Malabika Nayak; George Ferguson; John N. Low; Christopher Glidewell; Phalguni Misra; Sasankasekhar Mohanta
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 129
• a: 10.9119 ± 0.0002 Å
• b: 11.0748 ± 0.0002 Å
• c: 14.0183 ± 0.0003 Å
• α: 67.817 ± 0.0009°
• β: 70.609 ± 0.001°
• γ: 65.733 ± 0.001°
• Cell volume: 1398.34 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0241
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No