Information card for entry 4321806

Structure parameters

• Formula: C54 H56 Cl8 Fe2 N2 P2 Ru
• Calculated formula: C54 H56 Cl8 Fe2 N2 P2 Ru
• SMILES: [Ru]123([N]([C@H](C)[c]45[Fe]6789%10%11%12([c]4([cH]6[cH]7[cH]58)[P]2(c2ccccc2)c2ccccc2)[cH]2[cH]9[cH]%10[cH]%11[cH]%122)(CC[N]1([C@H](C)[c]12[c]4([Fe]56789%101([cH]4[cH]5[cH]26)[cH]1[cH]7[cH]8[cH]9[cH]%101)[P]3(c1ccccc1)c1ccccc1)C)C)(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Synthesis of Chiral C2-Symmetric Bisferrocenyldiamines. X-ray Crystal Structure of Ru(2)Cl2.2CHCl3 (2 = N1,N2-Bis{(R)-1-[(S)-2-(diphenylphosphino)]ferrocenylethyl}- N1,N2-dimethyl-1,2-ethanediamine)
• Authors of publication: Jeong-Ho Song; Dong-Jei Cho; Sang-Jin Jeon; Yong-Hoon Kim; Tae-Jeong Kim; Jong Hwa Jeong
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 893 - 896
• a: 11.723 ± 0.0004 Å
• b: 16.5951 ± 0.0006 Å
• c: 27.8526 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5418.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No