Information card for entry 4061595

Structure parameters

• Formula: C69 H93 B Fe N2 O0 P4
• Calculated formula: C69 H93 B Fe N2 P4
• SMILES: C(#CC(c1ccccc1)(c1ccccc1)N(C)C)[Fe]12([P](CC)(CC[P]1(CC)CC)CC)([P](CC)(CC)CC[P]2(CC)CC)[N]#CC.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Allenylidene Iron(II) Complexes and Their Deprotonation, Nucleophilic Addition Reactions and Cathodic Protonation toward Alkynyl Derivatives, a Chemical and Electrochemistry Study
• Authors of publication: Venâncio, Ana I. F.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 19
• Pages of publication: 4654 - 4665
• a: 11.311 ± 0.003 Å
• b: 25.042 ± 0.004 Å
• c: 45.647 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12930 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No