Information card for entry 4074698

Structure parameters

• Formula: C40 H38 Fe2 P2 Pd
• Calculated formula: C40 H38 Fe2 P2 Pd
• SMILES: [Pd]1([P]2([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3([cH]8[cH]9[cH]%10[cH]%113)[P]1([c]13[Fe]456789%10([c]%112[cH]4[cH]5[cH]6[cH]7%11)[cH]1[cH]8[cH]9[cH]3%10)c1ccccc1)c1ccccc1)(C)C.c1ccccc1
• Title of publication: Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes
• Authors of publication: Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 882
• a: 12.171 ± 0.0002 Å
• b: 15.13 ± 0.0003 Å
• c: 10.034 ± 0.0001 Å
• α: 101.117 ± 0.001°
• β: 110.842 ± 0.001°
• γ: 100.482 ± 0.001°
• Cell volume: 1629.97 ± 0.05 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No