Information card for entry 4062507

Structure parameters

• Formula: C94 H118 B2 Cl12 F8 O5 P4 Rh2
• Calculated formula: C84 H96 B2 F8 O4 P4 Rh2
• SMILES: [B](F)(F)(F)[F-].[c]12([c]34[cH]5[c]6([c]78[cH]1[Rh]24568([P](CCO7)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCO[c]12[cH]4[c]5([c]67[cH]8[c]1(C(C)(C)C)[Rh]24578([P](CCO6)(c1ccccc1)c1ccccc1)[P](CCO3)(c1ccccc1)c1ccccc1)C(C)(C)C)C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: A Systematic Study of the Role of Ligand Structure in the Formation of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link Approach
• Authors of publication: Holliday, Bradley J.; Ulmann, Pirmin A.; Mirkin, Chad A.; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 23.097 ± 0.002 Å
• b: 14.5217 ± 0.0012 Å
• c: 28.715 ± 0.004 Å
• α: 90°
• β: 94.639 ± 0.001°
• γ: 90°
• Cell volume: 9599.7 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No