Information card for entry 4074696

Structure parameters

• Formula: C28 H36 Fe2 N2 P2
• Calculated formula: C28 H36 Fe2 N2 P2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)P([c]13[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)P2N(CC)CC)N(CC)CC
• 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: 20.822 ± 0.0004 Å
• b: 7.509 ± 0.0002 Å
• c: 16.866 ± 0.0005 Å
• α: 90°
• β: 93.181 ± 0.001°
• γ: 90°
• Cell volume: 2632.98 ± 0.12 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No