Information card for entry 4342763

Structure parameters

• Formula: C48 H66 Fe2 N6 Ni O13
• Calculated formula: C48 H66 Fe2.01 N6 Ni0.99 O13
• Title of publication: Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.
• Authors of publication: Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5169 - 5181
• a: 16.667 ± 0.005 Å
• b: 16.667 ± 0.005 Å
• c: 14.966 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3600.4 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No