Information card for entry 4109236

Structure parameters

• Formula: C30 H63 Fe2 N21 Ni3 O6
• Calculated formula: C30 H51 Fe2 N21 Ni3 O6
• Title of publication: Reversible Water-Induced Magnetic and Structural Conversion of a Flexible Microporous Ni(II)Fe(III) Ferromagnet
• Authors of publication: Nobuhiro Yanai; Wakako Kaneko; Ko Yoneda; Masaaki Ohba; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3496 - 3497
• a: 24.044 ± 0.008 Å
• b: 14.343 ± 0.004 Å
• c: 16.688 ± 0.005 Å
• α: 90°
• β: 100.552 ± 0.004°
• γ: 90°
• Cell volume: 5658 ± 3 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No