Information card for entry 4334819

Structure parameters

• Formula: C30 H35 F12 Fe N O P2 Pd Se4
• Calculated formula: C30 H35 F12 Fe N O P2 Pd Se4
• SMILES: [Pd]123[Se]4[c]56[Fe]789%10%11%12%13([cH]5[cH]7[cH]8[cH]69)[c]5([Se]2CCC[Se]3Cc2cccc3cccc(c23)C[Se]1CCC4)[cH]%10[cH]%11[cH]%12[cH]%135.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.N#CC
• Title of publication: Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit
• Authors of publication: Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5786 - 5793
• a: 11.8549 ± 0.0013 Å
• b: 13.1283 ± 0.0014 Å
• c: 13.1835 ± 0.0014 Å
• α: 84.566 ± 0.002°
• β: 67.686 ± 0.002°
• γ: 80.06 ± 0.002°
• Cell volume: 1868.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No