Information card for entry 4100789

Structure parameters

• Formula: C43 H54 F6 Fe N O8 P
• Calculated formula: C43 H54 F6 Fe N O8 P
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C[NH2+]Cc1ccc(C)cc1)[cH]1[cH]8[cH]7[cH]6[cH]51.[P](F)(F)(F)(F)(F)[F-].O1c2ccccc2OCCOCCOCCOc2c(OCCOCCOCC1)cccc2
• Title of publication: Formation of Pseudorotaxane Induced by Electrochemical Oxidation of Ferrocene-Containing Axis Molecule in the Presence of Crown Ether
• Authors of publication: Masaki Horie; Yuji Suzaki; Kohtaro Osakada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3684 - 3685
• a: 10.1889 ± 0.0013 Å
• b: 11.05 ± 0.003 Å
• c: 19.46 ± 0.002 Å
• α: 87.09 ± 0.03°
• β: 77.37 ± 0.02°
• γ: 89.02 ± 0.02°
• Cell volume: 2135.1 ± 0.7 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No