Information card for entry 4073637

Structure parameters

• Formula: C18 H34 B10 Fe N O P
• Calculated formula: C18 H34 B10 Fe N O P
• SMILES: [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)CN(C)C)P(OC(C)C)[C]1234[CH]9%10%11[BH]%12%132[BH]2%141[BH]1%15%12[BH]%12%162[BH]23%14[BH]3%14%16[BH]%16%15%12[BH]9%131[BH]%11%14%16[BH]4%1023)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Stereoselective Synthesis ofortho-Carbaborane-ContainingP-Chiral Phosphanylferrocenes†
• Authors of publication: Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4715
• a: 32.48 ± 0.004 Å
• b: 10.3106 ± 0.0011 Å
• c: 15.9441 ± 0.0017 Å
• α: 90°
• β: 104.883 ± 0.003°
• γ: 90°
• Cell volume: 5160.4 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No