Information card for entry 7219000

Structure parameters

• Formula: C52 H44 Br6 Fe2 N2 O0 Os P4
• Calculated formula: C52 H44 Br6 Fe2 N2 Os P4
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(C#[N][Fe](Br)(Br)Br)C#[N][Fe](Br)(Br)Br
• Title of publication: Synthesis, Crystal Structure and MMCT of New Cyanide-bridged Complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru，Os)
• Authors of publication: Sheng, Tianlu; Wang, Yong; Song, Jinshuai; Ma, Xiao; Xue, Zhenzhen; Hu, Shengmin; Fu, Ruibiao; Li, Chunsen; Wu, Xintao
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.695 ± 0.002 Å
• b: 13.44 ± 0.003 Å
• c: 20.777 ± 0.005 Å
• α: 82.415 ± 0.009°
• β: 81.139 ± 0.008°
• γ: 65.16 ± 0.006°
• Cell volume: 2920 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No