Information card for entry 4301803

Structure parameters

• Formula: C46 H32 Fe N6 O P
• Calculated formula: C46 H32 Fe N6 O P
• SMILES: [Fe]12(C#N)(C#N)(C#N)[n]3cccc4cccc(c34)N1C(=O)c1ccc3ccccc3[n]21.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Cyanide-Bridged FeIII-MnIII Bimetallic Complexes with Dimeric and Chain Structures Constructed from a Newly Mademer-Fe Tricyanide: Structures and Magnetic Properties
• Authors of publication: Jae Il Kim; Hyun Young Kwak; Jung Hee Yoon; Dae Won Ryu; In Young Yoo; Namgeun Yang; Beong Ki Cho; Je-Geun Park; Hyosug Lee; Chang Seop Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2956 - 2966
• a: 9.3047 ± 0.0004 Å
• b: 14.7946 ± 0.0007 Å
• c: 14.8284 ± 0.0007 Å
• α: 109.413 ± 0.001°
• β: 97.306 ± 0.002°
• γ: 100.32 ± 0.002°
• Cell volume: 1855.33 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1486
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No