Information card for entry 8102524

Structure parameters

• Chemical name: [2-(Diphenylphosphino)phenyliminoaethyl] -ferrocene,C~30~H~26~NPFe
• Formula: C30 H26 Fe N P
• Calculated formula: C30 H26 Fe N P
• SMILES: [Fe]12345678([cH]9[cH]8[cH]7[cH]6[cH]29)[c]2([cH]1[cH]5[cH]3[cH]42)C(=N\c1c(P(c2ccccc2)c2ccccc2)cccc1)\C
• Title of publication: Crystal structure of [2-(diphenylphosphino)phenyliminoethyl]ferrocene, Fe(C5H5)(C25H21NP)
• Authors of publication: Ren-Yun Kuang; Xiao-Niu Fang; Yin-Qiu Liu; Xiao-Chun Zhou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 649
• a: 10.75 ± 0.002 Å
• b: 9.077 ± 0.0018 Å
• c: 24.489 ± 0.005 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 2389.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No