Information card for entry 4326295

Structure parameters

• Formula: C24 H54 Fe2 N24 Ni3 O3
• Calculated formula: C24 H54 Fe2 N24 Ni3 O3
• Title of publication: Crystal Water Molecules as Magnetic Tuners in Molecular Metamagnets Exhibiting Antiferro-Ferro-Paramagnetic Transitions
• Authors of publication: Radovan Herchel; Jiří Tuček; Zdeněk Trávníček; Dimitris Petridis; Radek Zbořil
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9153 - 9163
• a: 7.41714 ± 0.00019 Å
• b: 9.6389 ± 0.0002 Å
• c: 15.9662 ± 0.0004 Å
• α: 74.928 ± 0.002°
• β: 88.339 ± 0.002°
• γ: 73.568 ± 0.002°
• Cell volume: 1055.96 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No